RESNAME,ATOMTYPE,q,axx,axy,axz,ayy,ayz,azz
ALA,N,-0.43072574648916273,7.432288641015653,0.0,0.0,7.432288641015653,0.0,7.432288641015653
ALA,HN,0.26596082094628026,1.395527170821023,0.0,0.0,1.395527170821023,0.0,1.395527170821023
ALA,H,0.26596082094628026,1.395527170821023,0.0,0.0,1.395527170821023,0.0,1.395527170821023
ALA,CA,0.0855592972169878,7.993904325029068,0.0,0.0,7.993904325029068,0.0,7.993904325029068
ALA,HA,0.09339735992326338,1.837295673024618,0.0,0.0,1.837295673024618,0.0,1.837295673024618
ALA,CB,-0.4049418309214103,7.731055188913156,0.0,0.0,7.731055188913156,0.0,7.731055188913156
ALA,C,0.5351170419576652,7.956098421184688,0.0,0.0,7.956098421184688,0.0,7.956098421184688
ALA,HB,0.12052524647209757,1.638544759246032,0.0,0.0,1.638544759246032,0.0,1.638544759246032
ALA,HB1,0.12052524647209757,1.638544759246032,0.0,0.0,1.638544759246032,0.0,1.638544759246032
ALA,1HB,0.12052524647209757,1.638544759246032,0.0,0.0,1.638544759246032,0.0,1.638544759246032
ALA,HB2,0.12052524647209757,1.638544759246032,0.0,0.0,1.638544759246032,0.0,1.638544759246032
ALA,2HB,0.12052524647209757,1.638544759246032,0.0,0.0,1.638544759246032,0.0,1.638544759246032
ALA,HB3,0.12052524647209757,1.638544759246032,0.0,0.0,1.638544759246032,0.0,1.638544759246032
ALA,3HB,0.12052524647209757,1.638544759246032,0.0,0.0,1.638544759246032,0.0,1.638544759246032
ALA,O,-0.5059426820499163,5.789828453788017,0.0,0.0,5.789828453788017,0.0,5.789828453788017
ARG,N,-0.29482717838129635,7.426136594350352,0.0,0.0,7.426136594350352,0.0,7.426136594350352
ARG,HN,0.21857115037850627,1.3194482710491113,0.0,0.0,1.3194482710491113,0.0,1.3194482710491113
ARG,H,0.21857115037850627,1.3194482710491113,0.0,0.0,1.3194482710491113,0.0,1.3194482710491113
ARG,CA,-0.08633137246425895,8.485440554426464,0.0,0.0,8.485440554426464,0.0,8.485440554426464
ARG,HA,0.12519885724415855,1.6740159622884456,0.0,0.0,1.6740159622884456,0.0,1.6740159622884456
ARG,CB,-0.20591283985750067,7.994785309304176,0.0,0.0,7.994785309304176,0.0,7.994785309304176
ARG,C,0.6102649805151291,8.23020377826519,0.0,0.0,8.23020377826519,0.0,8.23020377826519
ARG,HB,0.0901542411120875,1.3630780217890424,0.0,0.0,1.3630780217890424,0.0,1.3630780217890424
ARG,HB1,0.0901542411120875,1.3630780217890424,0.0,0.0,1.3630780217890424,0.0,1.3630780217890424
ARG,1HB,0.0901542411120875,1.3630780217890424,0.0,0.0,1.3630780217890424,0.0,1.3630780217890424
ARG,HB2,0.0901542411120875,1.3630780217890424,0.0,0.0,1.3630780217890424,0.0,1.3630780217890424
ARG,2HB,0.0901542411120875,1.3630780217890424,0.0,0.0,1.3630780217890424,0.0,1.3630780217890424
ARG,HB3,0.0901542411120875,1.3630780217890424,0.0,0.0,1.3630780217890424,0.0,1.3630780217890424
ARG,3HB,0.0901542411120875,1.3630780217890424,0.0,0.0,1.3630780217890424,0.0,1.3630780217890424
ARG,CG,-0.05311405637265181,7.874474718246895,0.0,0.0,7.874474718246895,0.0,7.874474718246895
ARG,O,-0.509244948418023,5.68081852891398,0.0,0.0,5.68081852891398,0.0,5.68081852891398
ARG,HG,0.07103368274415728,1.375906577371232,0.0,0.0,1.375906577371232,0.0,1.375906577371232
ARG,1HG,0.07103368274415728,1.375906577371232,0.0,0.0,1.375906577371232,0.0,1.375906577371232
ARG,HG1,0.07103368274415728,1.375906577371232,0.0,0.0,1.375906577371232,0.0,1.375906577371232
ARG,HG2,0.07103368274415728,1.375906577371232,0.0,0.0,1.375906577371232,0.0,1.375906577371232
ARG,2HG,0.07103368274415728,1.375906577371232,0.0,0.0,1.375906577371232,0.0,1.375906577371232
ARG,HG3,0.07103368274415728,1.375906577371232,0.0,0.0,1.375906577371232,0.0,1.375906577371232
ARG,3HG,0.07103368274415728,1.375906577371232,0.0,0.0,1.375906577371232,0.0,1.375906577371232
ARG,CD,-0.05362496036855354,7.446484867713024,0.0,0.0,7.446484867713024,0.0,7.446484867713024
ARG,HD,0.1236376516714672,1.378010440739611,0.0,0.0,1.378010440739611,0.0,1.378010440739611
ARG,1HD,0.1236376516714672,1.378010440739611,0.0,0.0,1.378010440739611,0.0,1.378010440739611
ARG,HD1,0.1236376516714672,1.378010440739611,0.0,0.0,1.378010440739611,0.0,1.378010440739611
ARG,HD2,0.1236376516714672,1.378010440739611,0.0,0.0,1.378010440739611,0.0,1.378010440739611
ARG,2HD,0.1236376516714672,1.378010440739611,0.0,0.0,1.378010440739611,0.0,1.378010440739611
ARG,HD3,0.1236376516714672,1.378010440739611,0.0,0.0,1.378010440739611,0.0,1.378010440739611
ARG,3HD,0.1236376516714672,1.378010440739611,0.0,0.0,1.378010440739611,0.0,1.378010440739611
ARG,NE,-0.43911128765753343,7.371847216611344,0.0,0.0,7.371847216611344,0.0,7.371847216611344
ARG,HE,0.36358026621759754,1.1387403385965078,0.0,0.0,1.1387403385965078,0.0,1.1387403385965078
ARG,CZ,0.5339185528559781,8.19574036686373,0.0,0.0,8.19574036686373,0.0,8.19574036686373
ARG,NH,-0.7061509829269501,6.343254739581454,0.0,0.0,6.343254739581454,0.0,6.343254739581454
ARG,NH1,-0.7061509829269501,6.343254739581454,0.0,0.0,6.343254739581454,0.0,6.343254739581454
ARG,NH2,-0.7061509829269501,6.343254739581454,0.0,0.0,6.343254739581454,0.0,6.343254739581454
ARG,HH,0.40832091277673116,0.7469564946502053,0.0,0.0,0.7469564946502053,0.0,0.7469564946502053
ARG,HH11,0.40832091277673116,0.7469564946502053,0.0,0.0,0.7469564946502053,0.0,0.7469564946502053
ARG,1HH1,0.40832091277673116,0.7469564946502053,0.0,0.0,0.7469564946502053,0.0,0.7469564946502053
ARG,HH12,0.40832091277673116,0.7469564946502053,0.0,0.0,0.7469564946502053,0.0,0.7469564946502053
ARG,2HH1,0.40832091277673116,0.7469564946502053,0.0,0.0,0.7469564946502053,0.0,0.7469564946502053
ARG,HH21,0.40832091277673116,0.7469564946502053,0.0,0.0,0.7469564946502053,0.0,0.7469564946502053
ARG,1HH2,0.40832091277673116,0.7469564946502053,0.0,0.0,0.7469564946502053,0.0,0.7469564946502053
ARG,HH22,0.40832091277673116,0.7469564946502053,0.0,0.0,0.7469564946502053,0.0,0.7469564946502053
ARG,2HH2,0.40832091277673116,0.7469564946502053,0.0,0.0,0.7469564946502053,0.0,0.7469564946502053
ASN,N,-0.384250953250099,7.311632077905381,0.0,0.0,7.311632077905381,0.0,7.311632077905381
ASN,HN,0.23667501117340273,1.2861607146382572,0.0,0.0,1.2861607146382572,0.0,1.2861607146382572
ASN,H,0.23667501117340273,1.2861607146382572,0.0,0.0,1.2861607146382572,0.0,1.2861607146382572
ASN,CA,0.10240979820753178,8.248433301226363,0.0,0.0,8.248433301226363,0.0,8.248433301226363
ASN,HA,0.07934282556979058,1.513545216317513,0.0,0.0,1.513545216317513,0.0,1.513545216317513
ASN,CB,-0.4296011110004628,8.070975298061747,0.0,0.0,8.070975298061747,0.0,8.070975298061747
ASN,C,0.5135917494652608,8.059353232409487,0.0,0.0,8.059353232409487,0.0,8.059353232409487
ASN,HB,0.13196940492509684,1.4506026820951115,0.0,0.0,1.4506026820951115,0.0,1.4506026820951115
ASN,HB1,0.13196940492509684,1.4506026820951115,0.0,0.0,1.4506026820951115,0.0,1.4506026820951115
ASN,1HB,0.13196940492509684,1.4506026820951115,0.0,0.0,1.4506026820951115,0.0,1.4506026820951115
ASN,HB2,0.13196940492509684,1.4506026820951115,0.0,0.0,1.4506026820951115,0.0,1.4506026820951115
ASN,2HB,0.13196940492509684,1.4506026820951115,0.0,0.0,1.4506026820951115,0.0,1.4506026820951115
ASN,HB3,0.13196940492509684,1.4506026820951115,0.0,0.0,1.4506026820951115,0.0,1.4506026820951115
ASN,3HB,0.13196940492509684,1.4506026820951115,0.0,0.0,1.4506026820951115,0.0,1.4506026820951115
ASN,CG,0.7711522323154363,8.06869667973236,0.0,0.0,8.06869667973236,0.0,8.06869667973236
ASN,O,-0.48772127533531523,5.732405239520462,0.0,0.0,5.732405239520462,0.0,5.732405239520462
ASN,OD,-0.5217782391206315,5.598468718069168,0.0,0.0,5.598468718069168,0.0,5.598468718069168
ASN,OD1,-0.5217782391206315,5.598468718069168,0.0,0.0,5.598468718069168,0.0,5.598468718069168
ASN,ND,-0.9560081049314221,7.533669763438041,0.0,0.0,7.533669763438041,0.0,7.533669763438041
ASN,ND2,-0.9560081049314221,7.533669763438041,0.0,0.0,7.533669763438041,0.0,7.533669763438041
ASN,HD,0.40612462852815734,1.2780698942197122,0.0,0.0,1.2780698942197122,0.0,1.2780698942197122
ASN,HD21,0.40612462852815734,1.2780698942197122,0.0,0.0,1.2780698942197122,0.0,1.2780698942197122
ASN,1HD2,0.40612462852815734,1.2780698942197122,0.0,0.0,1.2780698942197122,0.0,1.2780698942197122
ASN,HN21,0.40612462852815734,1.2780698942197122,0.0,0.0,1.2780698942197122,0.0,1.2780698942197122
ASN,HD22,0.40612462852815734,1.2780698942197122,0.0,0.0,1.2780698942197122,0.0,1.2780698942197122
ASN,2HD2,0.40612462852815734,1.2780698942197122,0.0,0.0,1.2780698942197122,0.0,1.2780698942197122
ASN,HN22,0.40612462852815734,1.2780698942197122,0.0,0.0,1.2780698942197122,0.0,1.2780698942197122
ASP,N,-0.5792217741287013,7.3565991607149845,0.0,0.0,7.3565991607149845,0.0,7.3565991607149845
ASP,HN,0.30832419502616293,1.1503735730428257,0.0,0.0,1.1503735730428257,0.0,1.1503735730428257
ASP,H,0.30832419502616293,1.1503735730428257,0.0,0.0,1.1503735730428257,0.0,1.1503735730428257
ASP,CA,0.13454992561166212,9.046730137967307,0.0,0.0,9.046730137967307,0.0,9.046730137967307
ASP,HA,0.07841253201407984,1.4695752572246592,0.0,0.0,1.4695752572246592,0.0,1.4695752572246592
ASP,CB,-0.20895990348570906,9.94089622883941,0.0,0.0,9.94089622883941,0.0,9.94089622883941
ASP,C,0.42723932337615284,8.50771352988604,0.0,0.0,8.50771352988604,0.0,8.50771352988604
ASP,HB,0.013976544596548192,1.424483936983532,0.0,0.0,1.424483936983532,0.0,1.424483936983532
ASP,HB1,0.013976544596548192,1.424483936983532,0.0,0.0,1.424483936983532,0.0,1.424483936983532
ASP,1HB,0.013976544596548192,1.424483936983532,0.0,0.0,1.424483936983532,0.0,1.424483936983532
ASP,HB2,0.013976544596548192,1.424483936983532,0.0,0.0,1.424483936983532,0.0,1.424483936983532
ASP,2HB,0.013976544596548192,1.424483936983532,0.0,0.0,1.424483936983532,0.0,1.424483936983532
ASP,HB3,0.013976544596548192,1.424483936983532,0.0,0.0,1.424483936983532,0.0,1.424483936983532
ASP,3HB,0.013976544596548192,1.424483936983532,0.0,0.0,1.424483936983532,0.0,1.424483936983532
ASP,CG,0.8577261726104838,10.292188374663313,0.0,0.0,10.292188374663313,0.0,10.292188374663313
ASP,O,-0.4892481953353383,5.784890329972928,0.0,0.0,5.784890329972928,0.0,5.784890329972928
ASP,OD,-0.7783876824409446,6.928466721763253,0.0,0.0,6.928466721763253,0.0,6.928466721763253
ASP,OD1,-0.7783876824409446,6.928466721763253,0.0,0.0,6.928466721763253,0.0,6.928466721763253
ASP,OD2,-0.7783876824409446,6.928466721763253,0.0,0.0,6.928466721763253,0.0,6.928466721763253
CYS,N,-0.34127087431894615,7.424100407909875,0.0,0.0,7.424100407909875,0.0,7.424100407909875
CYSH,N,-0.34127087431894615,7.424100407909875,0.0,0.0,7.424100407909875,0.0,7.424100407909875
CYS,HN,0.24064226545760917,1.1932881784766862,0.0,0.0,1.1932881784766862,0.0,1.1932881784766862
CYSH,HN,0.24064226545760917,1.1932881784766862,0.0,0.0,1.1932881784766862,0.0,1.1932881784766862
CYS,H,0.24064226545760917,1.1932881784766862,0.0,0.0,1.1932881784766862,0.0,1.1932881784766862
CYSH,H,0.24064226545760917,1.1932881784766862,0.0,0.0,1.1932881784766862,0.0,1.1932881784766862
CYS,CA,-0.026754966966478923,8.733161378321402,0.0,0.0,8.733161378321402,0.0,8.733161378321402
CYSH,CA,-0.026754966966478923,8.733161378321402,0.0,0.0,8.733161378321402,0.0,8.733161378321402
CYS,HA,0.1472607912902162,1.5724140442428118,0.0,0.0,1.5724140442428118,0.0,1.5724140442428118
CYSH,HA,0.1472607912902162,1.5724140442428118,0.0,0.0,1.5724140442428118,0.0,1.5724140442428118
CYS,CB,-0.3455975001508464,9.122468600790858,0.0,0.0,9.122468600790858,0.0,9.122468600790858
CYSH,CB,-0.3455975001508464,9.122468600790858,0.0,0.0,9.122468600790858,0.0,9.122468600790858
CYS,C,0.5662172426543237,8.130302000034975,0.0,0.0,8.130302000034975,0.0,8.130302000034975
CYSH,C,0.5662172426543237,8.130302000034975,0.0,0.0,8.130302000034975,0.0,8.130302000034975
CYS,HB,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYSH,HB,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYS,HB1,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYSH,HB1,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYS,1HB,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYSH,1HB,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYS,HB2,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYSH,HB2,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYS,2HB,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYSH,2HB,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYS,HB3,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYSH,HB3,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYS,3HB,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYSH,3HB,0.1553021630370603,1.3612355252660695,0.0,0.0,1.3612355252660695,0.0,1.3612355252660695
CYS,SG,-0.23556553246644557,18.43659634743934,0.0,0.0,18.43659634743934,0.0,18.43659634743934
CYSH,SG,-0.23556553246644557,18.43659634743934,0.0,0.0,18.43659634743934,0.0,18.43659634743934
CYS,S,-0.23556553246644557,18.43659634743934,0.0,0.0,18.43659634743934,0.0,18.43659634743934
CYSH,S,-0.23556553246644557,18.43659634743934,0.0,0.0,18.43659634743934,0.0,18.43659634743934
CYS,O,-0.491161157120877,5.688464325362847,0.0,0.0,5.688464325362847,0.0,5.688464325362847
CYSH,O,-0.491161157120877,5.688464325362847,0.0,0.0,5.688464325362847,0.0,5.688464325362847
CYS,HG,0.1756254055473243,2.7934795115020377,0.0,0.0,2.7934795115020377,0.0,2.7934795115020377
CYSH,HG,0.1756254055473243,2.7934795115020377,0.0,0.0,2.7934795115020377,0.0,2.7934795115020377
CYS,HG1,0.1756254055473243,2.7934795115020377,0.0,0.0,2.7934795115020377,0.0,2.7934795115020377
CYSH,HG1,0.1756254055473243,2.7934795115020377,0.0,0.0,2.7934795115020377,0.0,2.7934795115020377
GLN,N,-0.38401287087299035,7.396904266299408,0.0,0.0,7.396904266299408,0.0,7.396904266299408
GLN,HN,0.24636251088869315,1.2584534205039242,0.0,0.0,1.2584534205039242,0.0,1.2584534205039242
GLN,H,0.24636251088869315,1.2584534205039242,0.0,0.0,1.2584534205039242,0.0,1.2584534205039242
GLN,CA,-0.038612236945209766,8.359144466002382,0.0,0.0,8.359144466002382,0.0,8.359144466002382
GLN,HA,0.11833934604495773,1.682452618787907,0.0,0.0,1.682452618787907,0.0,1.682452618787907
GLN,CB,-0.13373739016737493,7.715508538309181,0.0,0.0,7.715508538309181,0.0,7.715508538309181
GLN,C,0.5533020508668149,8.051567480061852,0.0,0.0,8.051567480061852,0.0,8.051567480061852
GLN,HB,0.07552022419425147,1.3238375459719653,0.0,0.0,1.3238375459719653,0.0,1.3238375459719653
GLN,HB1,0.07552022419425147,1.3238375459719653,0.0,0.0,1.3238375459719653,0.0,1.3238375459719653
GLN,1HB,0.07552022419425147,1.3238375459719653,0.0,0.0,1.3238375459719653,0.0,1.3238375459719653
GLN,HB2,0.07552022419425147,1.3238375459719653,0.0,0.0,1.3238375459719653,0.0,1.3238375459719653
GLN,2HB,0.07552022419425147,1.3238375459719653,0.0,0.0,1.3238375459719653,0.0,1.3238375459719653
GLN,HB3,0.07552022419425147,1.3238375459719653,0.0,0.0,1.3238375459719653,0.0,1.3238375459719653
GLN,3HB,0.07552022419425147,1.3238375459719653,0.0,0.0,1.3238375459719653,0.0,1.3238375459719653
GLN,CG,-0.1865934055896194,8.023819725069687,0.0,0.0,8.023819725069687,0.0,8.023819725069687
GLN,O,-0.5049324691971072,5.739517183874294,0.0,0.0,5.739517183874294,0.0,5.739517183874294
GLN,HG,0.06925005665247426,1.4565576380459264,0.0,0.0,1.4565576380459264,0.0,1.4565576380459264
GLN,1HG,0.06925005665247426,1.4565576380459264,0.0,0.0,1.4565576380459264,0.0,1.4565576380459264
GLN,HG1,0.06925005665247426,1.4565576380459264,0.0,0.0,1.4565576380459264,0.0,1.4565576380459264
GLN,HG2,0.06925005665247426,1.4565576380459264,0.0,0.0,1.4565576380459264,0.0,1.4565576380459264
GLN,2HG,0.06925005665247426,1.4565576380459264,0.0,0.0,1.4565576380459264,0.0,1.4565576380459264
GLN,HG3,0.06925005665247426,1.4565576380459264,0.0,0.0,1.4565576380459264,0.0,1.4565576380459264
GLN,3HG,0.06925005665247426,1.4565576380459264,0.0,0.0,1.4565576380459264,0.0,1.4565576380459264
GLN,CD,0.716463486384758,8.153817686737131,0.0,0.0,8.153817686737131,0.0,8.153817686737131
GLN,OE,-0.5326744070387616,5.712924615550322,0.0,0.0,5.712924615550322,0.0,5.712924615550322
GLN,OE1,-0.5326744070387616,5.712924615550322,0.0,0.0,5.712924615550322,0.0,5.712924615550322
GLN,NE,-0.954421964024546,7.618975186225094,0.0,0.0,7.618975186225094,0.0,7.618975186225094
GLN,NE2,-0.954421964024546,7.618975186225094,0.0,0.0,7.618975186225094,0.0,7.618975186225094
GLN,HE,0.405488393978467,1.3011854533304252,0.0,0.0,1.3011854533304252,0.0,1.3011854533304252
GLN,HE21,0.405488393978467,1.3011854533304252,0.0,0.0,1.3011854533304252,0.0,1.3011854533304252
GLN,1HE2,0.405488393978467,1.3011854533304252,0.0,0.0,1.3011854533304252,0.0,1.3011854533304252
GLN,HE22,0.405488393978467,1.3011854533304252,0.0,0.0,1.3011854533304252,0.0,1.3011854533304252
GLN,2HE2,0.405488393978467,1.3011854533304252,0.0,0.0,1.3011854533304252,0.0,1.3011854533304252
GLU,N,-0.5276529302077544,7.447649719488146,0.0,0.0,7.447649719488146,0.0,7.447649719488146
GLU,HN,0.28899055643215255,1.1460459425842187,0.0,0.0,1.1460459425842187,0.0,1.1460459425842187
GLU,H,0.28899055643215255,1.1460459425842187,0.0,0.0,1.1460459425842187,0.0,1.1460459425842187
GLU,CA,0.02627828687450544,8.90465039316574,0.0,0.0,8.90465039316574,0.0,8.90465039316574
GLU,HA,0.1059314512723896,1.6293737210567052,0.0,0.0,1.6293737210567052,0.0,1.6293737210567052
GLU,CB,0.023302289192613398,8.516683617982508,0.0,0.0,8.516683617982508,0.0,8.516683617982508
GLU,C,0.47113030355862107,8.222381038445402,0.0,0.0,8.222381038445402,0.0,8.222381038445402
GLU,HB,0.0012792177989773305,1.183125546770994,0.0,0.0,1.183125546770994,0.0,1.183125546770994
GLU,HB1,0.0012792177989773305,1.183125546770994,0.0,0.0,1.183125546770994,0.0,1.183125546770994
GLU,1HB,0.0012792177989773305,1.183125546770994,0.0,0.0,1.183125546770994,0.0,1.183125546770994
GLU,HB2,0.0012792177989773305,1.183125546770994,0.0,0.0,1.183125546770994,0.0,1.183125546770994
GLU,2HB,0.0012792177989773305,1.183125546770994,0.0,0.0,1.183125546770994,0.0,1.183125546770994
GLU,HB3,0.0012792177989773305,1.183125546770994,0.0,0.0,1.183125546770994,0.0,1.183125546770994
GLU,3HB,0.0012792177989773305,1.183125546770994,0.0,0.0,1.183125546770994,0.0,1.183125546770994
GLU,CG,-0.11430843090606442,9.990024799413762,0.0,0.0,9.990024799413762,0.0,9.990024799413762
GLU,O,-0.5023981106775751,5.8094057725848955,0.0,0.0,5.8094057725848955,0.0,5.8094057725848955
GLU,HG,-0.01255440482026543,1.477784415595994,0.0,0.0,1.477784415595994,0.0,1.477784415595994
GLU,1HG,-0.01255440482026543,1.477784415595994,0.0,0.0,1.477784415595994,0.0,1.477784415595994
GLU,HG1,-0.01255440482026543,1.477784415595994,0.0,0.0,1.477784415595994,0.0,1.477784415595994
GLU,HG2,-0.01255440482026543,1.477784415595994,0.0,0.0,1.477784415595994,0.0,1.477784415595994
GLU,2HG,-0.01255440482026543,1.477784415595994,0.0,0.0,1.477784415595994,0.0,1.477784415595994
GLU,HG3,-0.01255440482026543,1.477784415595994,0.0,0.0,1.477784415595994,0.0,1.477784415595994
GLU,3HG,-0.01255440482026543,1.477784415595994,0.0,0.0,1.477784415595994,0.0,1.477784415595994
GLU,CD,0.8574990381902138,10.474707533536872,0.0,0.0,10.474707533536872,0.0,10.474707533536872
GLU,OE,-0.8031110398432628,7.117272618182512,0.0,0.0,7.117272618182512,0.0,7.117272618182512
GLU,OE1,-0.8031110398432628,7.117272618182512,0.0,0.0,7.117272618182512,0.0,7.117272618182512
GLU,OE2,-0.8031110398432628,7.117272618182512,0.0,0.0,7.117272618182512,0.0,7.117272618182512
GLY,N,-0.3125237383748091,7.293055982162503,0.0,0.0,7.293055982162503,0.0,7.293055982162503
GLY,HN,0.2505887990189864,1.4120210628746588,0.0,0.0,1.4120210628746588,0.0,1.4120210628746588
GLY,H,0.2505887990189864,1.4120210628746588,0.0,0.0,1.4120210628746588,0.0,1.4120210628746588
GLY,CA,-0.32073317686405134,7.959147630849974,0.0,0.0,7.959147630849974,0.0,7.959147630849974
GLY,C,0.6043275559095782,7.920255710385755,0.0,0.0,7.920255710385755,0.0,7.920255710385755
GLY,HA,0.14262513104513788,1.6966451998975058,0.0,0.0,1.6966451998975058,0.0,1.6966451998975058
GLY,HA2,0.14262513104513788,1.6966451998975058,0.0,0.0,1.6966451998975058,0.0,1.6966451998975058
GLY,1HA,0.14262513104513788,1.6966451998975058,0.0,0.0,1.6966451998975058,0.0,1.6966451998975058
GLY,HA1,0.14262513104513788,1.6966451998975058,0.0,0.0,1.6966451998975058,0.0,1.6966451998975058
GLY,HA3,0.14262513104513788,1.6966451998975058,0.0,0.0,1.6966451998975058,0.0,1.6966451998975058
GLY,2HA,0.14262513104513788,1.6966451998975058,0.0,0.0,1.6966451998975058,0.0,1.6966451998975058
GLY,O,-0.5069097017799798,5.804698143439816,0.0,0.0,5.804698143439816,0.0,5.804698143439816
HID,N,-0.37320916811244687,7.745960154634199,0.0,0.0,7.745960154634199,0.0,7.745960154634199
HSD,N,-0.37320916811244687,7.745960154634199,0.0,0.0,7.745960154634199,0.0,7.745960154634199
HISD,N,-0.37320916811244687,7.745960154634199,0.0,0.0,7.745960154634199,0.0,7.745960154634199
HISA,N,-0.37320916811244687,7.745960154634199,0.0,0.0,7.745960154634199,0.0,7.745960154634199
HID,HN,0.23944464781117514,1.2852609534344681,0.0,0.0,1.2852609534344681,0.0,1.2852609534344681
HSD,HN,0.23944464781117514,1.2852609534344681,0.0,0.0,1.2852609534344681,0.0,1.2852609534344681
HISD,HN,0.23944464781117514,1.2852609534344681,0.0,0.0,1.2852609534344681,0.0,1.2852609534344681
HISA,HN,0.23944464781117514,1.2852609534344681,0.0,0.0,1.2852609534344681,0.0,1.2852609534344681
HID,H,0.23944464781117514,1.2852609534344681,0.0,0.0,1.2852609534344681,0.0,1.2852609534344681
HSD,H,0.23944464781117514,1.2852609534344681,0.0,0.0,1.2852609534344681,0.0,1.2852609534344681
HISD,H,0.23944464781117514,1.2852609534344681,0.0,0.0,1.2852609534344681,0.0,1.2852609534344681
HISA,H,0.23944464781117514,1.2852609534344681,0.0,0.0,1.2852609534344681,0.0,1.2852609534344681
HID,CA,0.022687832172996737,8.268805280723315,0.0,0.0,8.268805280723315,0.0,8.268805280723315
HSD,CA,0.022687832172996737,8.268805280723315,0.0,0.0,8.268805280723315,0.0,8.268805280723315
HISD,CA,0.022687832172996737,8.268805280723315,0.0,0.0,8.268805280723315,0.0,8.268805280723315
HISA,CA,0.022687832172996737,8.268805280723315,0.0,0.0,8.268805280723315,0.0,8.268805280723315
HID,HA,0.10397832064299241,1.5600858464514724,0.0,0.0,1.5600858464514724,0.0,1.5600858464514724
HSD,HA,0.10397832064299241,1.5600858464514724,0.0,0.0,1.5600858464514724,0.0,1.5600858464514724
HISD,HA,0.10397832064299241,1.5600858464514724,0.0,0.0,1.5600858464514724,0.0,1.5600858464514724
HISA,HA,0.10397832064299241,1.5600858464514724,0.0,0.0,1.5600858464514724,0.0,1.5600858464514724
HID,CB,-0.3163080064394921,8.233026684004269,0.0,0.0,8.233026684004269,0.0,8.233026684004269
HSD,CB,-0.3163080064394921,8.233026684004269,0.0,0.0,8.233026684004269,0.0,8.233026684004269
HISD,CB,-0.3163080064394921,8.233026684004269,0.0,0.0,8.233026684004269,0.0,8.233026684004269
HISA,CB,-0.3163080064394921,8.233026684004269,0.0,0.0,8.233026684004269,0.0,8.233026684004269
HID,C,0.5392187754462896,7.6393022326711595,0.0,0.0,7.6393022326711595,0.0,7.6393022326711595
HSD,C,0.5392187754462896,7.6393022326711595,0.0,0.0,7.6393022326711595,0.0,7.6393022326711595
HISD,C,0.5392187754462896,7.6393022326711595,0.0,0.0,7.6393022326711595,0.0,7.6393022326711595
HISA,C,0.5392187754462896,7.6393022326711595,0.0,0.0,7.6393022326711595,0.0,7.6393022326711595
HID,HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HSD,HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISD,HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISA,HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HID,HB1,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HSD,HB1,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISD,HB1,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISA,HB1,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HID,1HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HSD,1HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISD,1HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISA,1HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HID,HB2,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HSD,HB2,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISD,HB2,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISA,HB2,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HID,2HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HSD,2HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISD,2HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISA,2HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HID,HB3,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HSD,HB3,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISD,HB3,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISA,HB3,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HID,3HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HSD,3HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISD,3HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HISA,3HB,0.11989706358650364,1.4128639642923841,0.0,0.0,1.4128639642923841,0.0,1.4128639642923841
HID,CG,0.09429800769624966,8.587490208401364,0.0,0.0,8.587490208401364,0.0,8.587490208401364
HSD,CG,0.09429800769624966,8.587490208401364,0.0,0.0,8.587490208401364,0.0,8.587490208401364
HISD,CG,0.09429800769624966,8.587490208401364,0.0,0.0,8.587490208401364,0.0,8.587490208401364
HISA,CG,0.09429800769624966,8.587490208401364,0.0,0.0,8.587490208401364,0.0,8.587490208401364
HID,O,-0.48890616656573105,5.306807027486227,0.0,0.0,5.306807027486227,0.0,5.306807027486227
HSD,O,-0.48890616656573105,5.306807027486227,0.0,0.0,5.306807027486227,0.0,5.306807027486227
HISD,O,-0.48890616656573105,5.306807027486227,0.0,0.0,5.306807027486227,0.0,5.306807027486227
HISA,O,-0.48890616656573105,5.306807027486227,0.0,0.0,5.306807027486227,0.0,5.306807027486227
HID,ND,-0.3149335765660694,6.633269532215371,0.0,0.0,6.633269532215371,0.0,6.633269532215371
HSD,ND,-0.3149335765660694,6.633269532215371,0.0,0.0,6.633269532215371,0.0,6.633269532215371
HISD,ND,-0.3149335765660694,6.633269532215371,0.0,0.0,6.633269532215371,0.0,6.633269532215371
HISA,ND,-0.3149335765660694,6.633269532215371,0.0,0.0,6.633269532215371,0.0,6.633269532215371
HID,ND1,-0.3149335765660694,6.633269532215371,0.0,0.0,6.633269532215371,0.0,6.633269532215371
HSD,ND1,-0.3149335765660694,6.633269532215371,0.0,0.0,6.633269532215371,0.0,6.633269532215371
HISD,ND1,-0.3149335765660694,6.633269532215371,0.0,0.0,6.633269532215371,0.0,6.633269532215371
HISA,ND1,-0.3149335765660694,6.633269532215371,0.0,0.0,6.633269532215371,0.0,6.633269532215371
HID,CD,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HSD,CD,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HISD,CD,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HISA,CD,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HID,CD1,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HSD,CD1,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HISD,CD1,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HISA,CD1,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HID,CD2,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HSD,CD2,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HISD,CD2,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HISA,CD2,0.07762963457905586,8.44484546202948,0.0,0.0,8.44484546202948,0.0,8.44484546202948
HID,HD1,0.31099048420652237,1.3248950983392227,0.0,0.0,1.3248950983392227,0.0,1.3248950983392227
HSD,HD1,0.31099048420652237,1.3248950983392227,0.0,0.0,1.3248950983392227,0.0,1.3248950983392227
HISD,HD1,0.31099048420652237,1.3248950983392227,0.0,0.0,1.3248950983392227,0.0,1.3248950983392227
HISA,HD1,0.31099048420652237,1.3248950983392227,0.0,0.0,1.3248950983392227,0.0,1.3248950983392227
HID,CE,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HSD,CE,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HISD,CE,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HISA,CE,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HID,CE1,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HSD,CE1,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HISD,CE1,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HISA,CE1,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HID,CE2,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HSD,CE2,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HISD,CE2,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HISA,CE2,0.1409738553327126,8.351225176400753,0.0,0.0,8.351225176400753,0.0,8.351225176400753
HID,NE,-0.5169382453665726,7.5683817467501635,0.0,0.0,7.5683817467501635,0.0,7.5683817467501635
HSD,NE,-0.5169382453665726,7.5683817467501635,0.0,0.0,7.5683817467501635,0.0,7.5683817467501635
HISD,NE,-0.5169382453665726,7.5683817467501635,0.0,0.0,7.5683817467501635,0.0,7.5683817467501635
HISA,NE,-0.5169382453665726,7.5683817467501635,0.0,0.0,7.5683817467501635,0.0,7.5683817467501635
HID,NE2,-0.5169382453665726,7.5683817467501635,0.0,0.0,7.5683817467501635,0.0,7.5683817467501635
HSD,NE2,-0.5169382453665726,7.5683817467501635,0.0,0.0,7.5683817467501635,0.0,7.5683817467501635
HISD,NE2,-0.5169382453665726,7.5683817467501635,0.0,0.0,7.5683817467501635,0.0,7.5683817467501635
HISA,NE2,-0.5169382453665726,7.5683817467501635,0.0,0.0,7.5683817467501635,0.0,7.5683817467501635
HID,HD2,0.11012303581860902,1.7945228327166605,0.0,0.0,1.7945228327166605,0.0,1.7945228327166605
HSD,HD2,0.11012303581860902,1.7945228327166605,0.0,0.0,1.7945228327166605,0.0,1.7945228327166605
HISD,HD2,0.11012303581860902,1.7945228327166605,0.0,0.0,1.7945228327166605,0.0,1.7945228327166605
HISA,HD2,0.11012303581860902,1.7945228327166605,0.0,0.0,1.7945228327166605,0.0,1.7945228327166605
HID,HE,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HSD,HE,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HISD,HE,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HISA,HE,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HID,HE1,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HSD,HE1,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HISD,HE1,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HISA,HE1,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HID,HE2,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HSD,HE2,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HISD,HE2,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HISA,HE2,0.13115644217070135,2.0290001431306557,0.0,0.0,2.0290001431306557,0.0,2.0290001431306557
HIE,N,-0.410424793113076,7.739594410884667,0.0,0.0,7.739594410884667,0.0,7.739594410884667
HSE,N,-0.410424793113076,7.739594410884667,0.0,0.0,7.739594410884667,0.0,7.739594410884667
HISE,N,-0.410424793113076,7.739594410884667,0.0,0.0,7.739594410884667,0.0,7.739594410884667
HISB,N,-0.410424793113076,7.739594410884667,0.0,0.0,7.739594410884667,0.0,7.739594410884667
HIE,HN,0.2508550332379994,1.2783048335302347,0.0,0.0,1.2783048335302347,0.0,1.2783048335302347
HSE,HN,0.2508550332379994,1.2783048335302347,0.0,0.0,1.2783048335302347,0.0,1.2783048335302347
HISE,HN,0.2508550332379994,1.2783048335302347,0.0,0.0,1.2783048335302347,0.0,1.2783048335302347
HISB,HN,0.2508550332379994,1.2783048335302347,0.0,0.0,1.2783048335302347,0.0,1.2783048335302347
HIE,H,0.2508550332379994,1.2783048335302347,0.0,0.0,1.2783048335302347,0.0,1.2783048335302347
HSE,H,0.2508550332379994,1.2783048335302347,0.0,0.0,1.2783048335302347,0.0,1.2783048335302347
HISE,H,0.2508550332379994,1.2783048335302347,0.0,0.0,1.2783048335302347,0.0,1.2783048335302347
HISB,H,0.2508550332379994,1.2783048335302347,0.0,0.0,1.2783048335302347,0.0,1.2783048335302347
HIE,CA,0.05392847530310692,8.261268040840605,0.0,0.0,8.261268040840605,0.0,8.261268040840605
HSE,CA,0.05392847530310692,8.261268040840605,0.0,0.0,8.261268040840605,0.0,8.261268040840605
HISE,CA,0.05392847530310692,8.261268040840605,0.0,0.0,8.261268040840605,0.0,8.261268040840605
HISB,CA,0.05392847530310692,8.261268040840605,0.0,0.0,8.261268040840605,0.0,8.261268040840605
HIE,HA,0.0912578486057404,1.5886718694802917,0.0,0.0,1.5886718694802917,0.0,1.5886718694802917
HSE,HA,0.0912578486057404,1.5886718694802917,0.0,0.0,1.5886718694802917,0.0,1.5886718694802917
HISE,HA,0.0912578486057404,1.5886718694802917,0.0,0.0,1.5886718694802917,0.0,1.5886718694802917
HISB,HA,0.0912578486057404,1.5886718694802917,0.0,0.0,1.5886718694802917,0.0,1.5886718694802917
HIE,CB,-0.26573669563046104,8.198378408082133,0.0,0.0,8.198378408082133,0.0,8.198378408082133
HSE,CB,-0.26573669563046104,8.198378408082133,0.0,0.0,8.198378408082133,0.0,8.198378408082133
HISE,CB,-0.26573669563046104,8.198378408082133,0.0,0.0,8.198378408082133,0.0,8.198378408082133
HISB,CB,-0.26573669563046104,8.198378408082133,0.0,0.0,8.198378408082133,0.0,8.198378408082133
HIE,C,0.5157480304514178,7.695126021834979,0.0,0.0,7.695126021834979,0.0,7.695126021834979
HSE,C,0.5157480304514178,7.695126021834979,0.0,0.0,7.695126021834979,0.0,7.695126021834979
HISE,C,0.5157480304514178,7.695126021834979,0.0,0.0,7.695126021834979,0.0,7.695126021834979
HISB,C,0.5157480304514178,7.695126021834979,0.0,0.0,7.695126021834979,0.0,7.695126021834979
HIE,HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HSE,HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISE,HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISB,HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HIE,HB1,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HSE,HB1,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISE,HB1,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISB,HB1,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HIE,1HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HSE,1HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISE,1HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISB,1HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HIE,HB2,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HSE,HB2,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISE,HB2,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISB,HB2,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HIE,2HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HSE,2HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISE,2HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISB,2HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HIE,HB3,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HSE,HB3,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISE,HB3,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISB,HB3,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HIE,3HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HSE,3HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISE,3HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HISB,3HB,0.09219341550425589,1.4023682107700908,0.0,0.0,1.4023682107700908,0.0,1.4023682107700908
HIE,CG,0.37698839834200787,8.492401116719645,0.0,0.0,8.492401116719645,0.0,8.492401116719645
HSE,CG,0.37698839834200787,8.492401116719645,0.0,0.0,8.492401116719645,0.0,8.492401116719645
HISE,CG,0.37698839834200787,8.492401116719645,0.0,0.0,8.492401116719645,0.0,8.492401116719645
HISB,CG,0.37698839834200787,8.492401116719645,0.0,0.0,8.492401116719645,0.0,8.492401116719645
HIE,O,-0.4888628158980836,5.381502605601439,0.0,0.0,5.381502605601439,0.0,5.381502605601439
HSE,O,-0.4888628158980836,5.381502605601439,0.0,0.0,5.381502605601439,0.0,5.381502605601439
HISE,O,-0.4888628158980836,5.381502605601439,0.0,0.0,5.381502605601439,0.0,5.381502605601439
HISB,O,-0.4888628158980836,5.381502605601439,0.0,0.0,5.381502605601439,0.0,5.381502605601439
HIE,ND,-0.47363225425188127,7.404449446788394,0.0,0.0,7.404449446788394,0.0,7.404449446788394
HSE,ND,-0.47363225425188127,7.404449446788394,0.0,0.0,7.404449446788394,0.0,7.404449446788394
HISE,ND,-0.47363225425188127,7.404449446788394,0.0,0.0,7.404449446788394,0.0,7.404449446788394
HISB,ND,-0.47363225425188127,7.404449446788394,0.0,0.0,7.404449446788394,0.0,7.404449446788394
HIE,ND1,-0.47363225425188127,7.404449446788394,0.0,0.0,7.404449446788394,0.0,7.404449446788394
HSE,ND1,-0.47363225425188127,7.404449446788394,0.0,0.0,7.404449446788394,0.0,7.404449446788394
HISE,ND1,-0.47363225425188127,7.404449446788394,0.0,0.0,7.404449446788394,0.0,7.404449446788394
HISB,ND1,-0.47363225425188127,7.404449446788394,0.0,0.0,7.404449446788394,0.0,7.404449446788394
HIE,CD,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HSE,CD,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HISE,CD,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HISB,CD,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HIE,CD1,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HSE,CD1,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HISE,CD1,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HISB,CD1,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HIE,CD2,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HSE,CD2,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HISE,CD2,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HISB,CD2,-0.3233718176796821,8.593900593969293,0.0,0.0,8.593900593969293,0.0,8.593900593969293
HIE,CE,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HSE,CE,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HISE,CE,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HISB,CE,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HIE,CE1,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HSE,CE1,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HISE,CE1,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HISB,CE1,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HIE,CE2,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HSE,CE2,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HISE,CE2,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HISB,CE2,0.0648669889240287,8.24051190674335,0.0,0.0,8.24051190674335,0.0,8.24051190674335
HIE,NE,-0.2125783550724917,6.639867150623282,0.0,0.0,6.639867150623282,0.0,6.639867150623282
HSE,NE,-0.2125783550724917,6.639867150623282,0.0,0.0,6.639867150623282,0.0,6.639867150623282
HISE,NE,-0.2125783550724917,6.639867150623282,0.0,0.0,6.639867150623282,0.0,6.639867150623282
HISB,NE,-0.2125783550724917,6.639867150623282,0.0,0.0,6.639867150623282,0.0,6.639867150623282
HIE,NE2,-0.2125783550724917,6.639867150623282,0.0,0.0,6.639867150623282,0.0,6.639867150623282
HSE,NE2,-0.2125783550724917,6.639867150623282,0.0,0.0,6.639867150623282,0.0,6.639867150623282
HISE,NE2,-0.2125783550724917,6.639867150623282,0.0,0.0,6.639867150623282,0.0,6.639867150623282
HISB,NE2,-0.2125783550724917,6.639867150623282,0.0,0.0,6.639867150623282,0.0,6.639867150623282
HIE,HD,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HSE,HD,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HISE,HD,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HISB,HD,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HIE,HD1,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HSE,HD1,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HISE,HD1,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HISB,HD1,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HIE,HD2,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HSE,HD2,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HISE,HD2,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HISB,HD2,0.1822609861596284,1.8409575885212697,0.0,0.0,1.8409575885212697,0.0,1.8409575885212697
HIE,HE1,0.14553997271005206,2.046047912999616,0.0,0.0,2.046047912999616,0.0,2.046047912999616
HSE,HE1,0.14553997271005206,2.046047912999616,0.0,0.0,2.046047912999616,0.0,2.046047912999616
HISE,HE1,0.14553997271005206,2.046047912999616,0.0,0.0,2.046047912999616,0.0,2.046047912999616
HISB,HE1,0.14553997271005206,2.046047912999616,0.0,0.0,2.046047912999616,0.0,2.046047912999616
HIE,HE2,0.3087741669031824,1.6163896840495644,0.0,0.0,1.6163896840495644,0.0,1.6163896840495644
HSE,HE2,0.3087741669031824,1.6163896840495644,0.0,0.0,1.6163896840495644,0.0,1.6163896840495644
HISE,HE2,0.3087741669031824,1.6163896840495644,0.0,0.0,1.6163896840495644,0.0,1.6163896840495644
HISB,HE2,0.3087741669031824,1.6163896840495644,0.0,0.0,1.6163896840495644,0.0,1.6163896840495644
HIE,HNE2,0.3087741669031824,1.6163896840495644,0.0,0.0,1.6163896840495644,0.0,1.6163896840495644
HSE,HNE2,0.3087741669031824,1.6163896840495644,0.0,0.0,1.6163896840495644,0.0,1.6163896840495644
HISE,HNE2,0.3087741669031824,1.6163896840495644,0.0,0.0,1.6163896840495644,0.0,1.6163896840495644
HISB,HNE2,0.3087741669031824,1.6163896840495644,0.0,0.0,1.6163896840495644,0.0,1.6163896840495644
HIS,N,-0.23859349877097363,7.707795304291907,0.0,0.0,7.707795304291907,0.0,7.707795304291907
HIP,N,-0.23859349877097363,7.707795304291907,0.0,0.0,7.707795304291907,0.0,7.707795304291907
HSP,N,-0.23859349877097363,7.707795304291907,0.0,0.0,7.707795304291907,0.0,7.707795304291907
HISH,N,-0.23859349877097363,7.707795304291907,0.0,0.0,7.707795304291907,0.0,7.707795304291907
HIS,HN,0.2048323077754825,1.2927429214604658,0.0,0.0,1.2927429214604658,0.0,1.2927429214604658
HIP,HN,0.2048323077754825,1.2927429214604658,0.0,0.0,1.2927429214604658,0.0,1.2927429214604658
HSP,HN,0.2048323077754825,1.2927429214604658,0.0,0.0,1.2927429214604658,0.0,1.2927429214604658
HISH,HN,0.2048323077754825,1.2927429214604658,0.0,0.0,1.2927429214604658,0.0,1.2927429214604658
HIS,H,0.2048323077754825,1.2927429214604658,0.0,0.0,1.2927429214604658,0.0,1.2927429214604658
HIP,H,0.2048323077754825,1.2927429214604658,0.0,0.0,1.2927429214604658,0.0,1.2927429214604658
HSP,H,0.2048323077754825,1.2927429214604658,0.0,0.0,1.2927429214604658,0.0,1.2927429214604658
HISH,H,0.2048323077754825,1.2927429214604658,0.0,0.0,1.2927429214604658,0.0,1.2927429214604658
HIS,CA,-0.09643145234586627,8.377520068551766,0.0,0.0,8.377520068551766,0.0,8.377520068551766
HIP,CA,-0.09643145234586627,8.377520068551766,0.0,0.0,8.377520068551766,0.0,8.377520068551766
HSP,CA,-0.09643145234586627,8.377520068551766,0.0,0.0,8.377520068551766,0.0,8.377520068551766
HISH,CA,-0.09643145234586627,8.377520068551766,0.0,0.0,8.377520068551766,0.0,8.377520068551766
HIS,HA,0.14171021706749534,1.6208160688600406,0.0,0.0,1.6208160688600406,0.0,1.6208160688600406
HIP,HA,0.14171021706749534,1.6208160688600406,0.0,0.0,1.6208160688600406,0.0,1.6208160688600406
HSP,HA,0.14171021706749534,1.6208160688600406,0.0,0.0,1.6208160688600406,0.0,1.6208160688600406
HISH,HA,0.14171021706749534,1.6208160688600406,0.0,0.0,1.6208160688600406,0.0,1.6208160688600406
HIS,CB,-0.38152519668019025,8.11511805361552,0.0,0.0,8.11511805361552,0.0,8.11511805361552
HIP,CB,-0.38152519668019025,8.11511805361552,0.0,0.0,8.11511805361552,0.0,8.11511805361552
HSP,CB,-0.38152519668019025,8.11511805361552,0.0,0.0,8.11511805361552,0.0,8.11511805361552
HISH,CB,-0.38152519668019025,8.11511805361552,0.0,0.0,8.11511805361552,0.0,8.11511805361552
HIS,C,0.6453122218934196,7.711188530877521,0.0,0.0,7.711188530877521,0.0,7.711188530877521
HIP,C,0.6453122218934196,7.711188530877521,0.0,0.0,7.711188530877521,0.0,7.711188530877521
HSP,C,0.6453122218934196,7.711188530877521,0.0,0.0,7.711188530877521,0.0,7.711188530877521
HISH,C,0.6453122218934196,7.711188530877521,0.0,0.0,7.711188530877521,0.0,7.711188530877521
HIS,HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIP,HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HSP,HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HISH,HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIS,HB1,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIP,HB1,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HSP,HB1,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HISH,HB1,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIS,1HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIP,1HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HSP,1HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HISH,1HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIS,HB2,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIP,HB2,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HSP,HB2,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HISH,HB2,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIS,2HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIP,2HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HSP,2HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HISH,2HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIS,HB3,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIP,HB3,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HSP,HB3,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HISH,HB3,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIS,3HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIP,3HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HSP,3HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HISH,3HB,0.18576934209441917,1.3802949628708967,0.0,0.0,1.3802949628708967,0.0,1.3802949628708967
HIS,CG,0.15702730337429283,7.972011272226846,0.0,0.0,7.972011272226846,0.0,7.972011272226846
HIP,CG,0.15702730337429283,7.972011272226846,0.0,0.0,7.972011272226846,0.0,7.972011272226846
HSP,CG,0.15702730337429283,7.972011272226846,0.0,0.0,7.972011272226846,0.0,7.972011272226846
HISH,CG,0.15702730337429283,7.972011272226846,0.0,0.0,7.972011272226846,0.0,7.972011272226846
HIS,O,-0.5033203599763313,5.321659877448138,0.0,0.0,5.321659877448138,0.0,5.321659877448138
HIP,O,-0.5033203599763313,5.321659877448138,0.0,0.0,5.321659877448138,0.0,5.321659877448138
HSP,O,-0.5033203599763313,5.321659877448138,0.0,0.0,5.321659877448138,0.0,5.321659877448138
HISH,O,-0.5033203599763313,5.321659877448138,0.0,0.0,5.321659877448138,0.0,5.321659877448138
HIS,ND,-0.20305789530436671,5.967511428241437,0.0,0.0,5.967511428241437,0.0,5.967511428241437
HIP,ND,-0.20305789530436671,5.967511428241437,0.0,0.0,5.967511428241437,0.0,5.967511428241437
HSP,ND,-0.20305789530436671,5.967511428241437,0.0,0.0,5.967511428241437,0.0,5.967511428241437
HISH,ND,-0.20305789530436671,5.967511428241437,0.0,0.0,5.967511428241437,0.0,5.967511428241437
HIS,ND1,-0.20305789530436671,5.967511428241437,0.0,0.0,5.967511428241437,0.0,5.967511428241437
HIP,ND1,-0.20305789530436671,5.967511428241437,0.0,0.0,5.967511428241437,0.0,5.967511428241437
HSP,ND1,-0.20305789530436671,5.967511428241437,0.0,0.0,5.967511428241437,0.0,5.967511428241437
HISH,ND1,-0.20305789530436671,5.967511428241437,0.0,0.0,5.967511428241437,0.0,5.967511428241437
HIS,CD,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HIP,CD,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HSP,CD,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HISH,CD,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HIS,CD1,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HIP,CD1,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HSP,CD1,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HISH,CD1,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HIS,CD2,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HIP,CD2,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HSP,CD2,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HISH,CD2,-0.10197953255265456,7.5807247513758025,0.0,0.0,7.5807247513758025,0.0,7.5807247513758025
HIS,HD1,0.35749582056795554,1.1291694964808319,0.0,0.0,1.1291694964808319,0.0,1.1291694964808319
HIP,HD1,0.35749582056795554,1.1291694964808319,0.0,0.0,1.1291694964808319,0.0,1.1291694964808319
HSP,HD1,0.35749582056795554,1.1291694964808319,0.0,0.0,1.1291694964808319,0.0,1.1291694964808319
HISH,HD1,0.35749582056795554,1.1291694964808319,0.0,0.0,1.1291694964808319,0.0,1.1291694964808319
HIS,CE,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HIP,CE,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HSP,CE,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HISH,CE,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HIS,CE1,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HIP,CE1,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HSP,CE1,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HISH,CE1,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HIS,CE2,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HIP,CE2,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HSP,CE2,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HISH,CE2,0.011776470127012243,7.226545332531716,0.0,0.0,7.226545332531716,0.0,7.226545332531716
HIS,NE,-0.20158771246281496,5.84864083023221,0.0,0.0,5.84864083023221,0.0,5.84864083023221
HIP,NE,-0.20158771246281496,5.84864083023221,0.0,0.0,5.84864083023221,0.0,5.84864083023221
HSP,NE,-0.20158771246281496,5.84864083023221,0.0,0.0,5.84864083023221,0.0,5.84864083023221
HISH,NE,-0.20158771246281496,5.84864083023221,0.0,0.0,5.84864083023221,0.0,5.84864083023221
HIS,NE2,-0.20158771246281496,5.84864083023221,0.0,0.0,5.84864083023221,0.0,5.84864083023221
HIP,NE2,-0.20158771246281496,5.84864083023221,0.0,0.0,5.84864083023221,0.0,5.84864083023221
HSP,NE2,-0.20158771246281496,5.84864083023221,0.0,0.0,5.84864083023221,0.0,5.84864083023221
HISH,NE2,-0.20158771246281496,5.84864083023221,0.0,0.0,5.84864083023221,0.0,5.84864083023221
HIS,HD2,0.21413494681200398,1.6374482825276666,0.0,0.0,1.6374482825276666,0.0,1.6374482825276666
HIP,HD2,0.21413494681200398,1.6374482825276666,0.0,0.0,1.6374482825276666,0.0,1.6374482825276666
HSP,HD2,0.21413494681200398,1.6374482825276666,0.0,0.0,1.6374482825276666,0.0,1.6374482825276666
HISH,HD2,0.21413494681200398,1.6374482825276666,0.0,0.0,1.6374482825276666,0.0,1.6374482825276666
HIS,HE1,0.23738682316335402,1.8446320640968659,0.0,0.0,1.8446320640968659,0.0,1.8446320640968659
HIP,HE1,0.23738682316335402,1.8446320640968659,0.0,0.0,1.8446320640968659,0.0,1.8446320640968659
HSP,HE1,0.23738682316335402,1.8446320640968659,0.0,0.0,1.8446320640968659,0.0,1.8446320640968659
HISH,HE1,0.23738682316335402,1.8446320640968659,0.0,0.0,1.8446320640968659,0.0,1.8446320640968659
HIS,HE2,0.38528085312334315,1.3828263707197392,0.0,0.0,1.3828263707197392,0.0,1.3828263707197392
HIP,HE2,0.38528085312334315,1.3828263707197392,0.0,0.0,1.3828263707197392,0.0,1.3828263707197392
HSP,HE2,0.38528085312334315,1.3828263707197392,0.0,0.0,1.3828263707197392,0.0,1.3828263707197392
HISH,HE2,0.38528085312334315,1.3828263707197392,0.0,0.0,1.3828263707197392,0.0,1.3828263707197392
HIS,HNE2,0.38528085312334315,1.3828263707197392,0.0,0.0,1.3828263707197392,0.0,1.3828263707197392
HIP,HNE2,0.38528085312334315,1.3828263707197392,0.0,0.0,1.3828263707197392,0.0,1.3828263707197392
HSP,HNE2,0.38528085312334315,1.3828263707197392,0.0,0.0,1.3828263707197392,0.0,1.3828263707197392
HISH,HNE2,0.38528085312334315,1.3828263707197392,0.0,0.0,1.3828263707197392,0.0,1.3828263707197392
ILE,N,-0.41873212183354724,7.475264249372243,0.0,0.0,7.475264249372243,0.0,7.475264249372243
ILE,HN,0.25177775576364825,1.3126496260449454,0.0,0.0,1.3126496260449454,0.0,1.3126496260449454
ILE,H,0.25177775576364825,1.3126496260449454,0.0,0.0,1.3126496260449454,0.0,1.3126496260449454
ILE,CA,-0.06840706552705965,8.36448252119335,0.0,0.0,8.36448252119335,0.0,8.36448252119335
ILE,HA,0.11019791244254679,1.7235642040648793,0.0,0.0,1.7235642040648793,0.0,1.7235642040648793
ILE,CB,0.11847799252246088,7.822848342249259,0.0,0.0,7.822848342249259,0.0,7.822848342249259
ILE,C,0.5600228060447674,7.947585626951184,0.0,0.0,7.947585626951184,0.0,7.947585626951184
ILE,HB,0.016163860405192236,1.76490915142314,0.0,0.0,1.76490915142314,0.0,1.76490915142314
ILE,HB1,0.016163860405192236,1.76490915142314,0.0,0.0,1.76490915142314,0.0,1.76490915142314
ILE,1HB,0.016163860405192236,1.76490915142314,0.0,0.0,1.76490915142314,0.0,1.76490915142314
ILE,HB2,0.016163860405192236,1.76490915142314,0.0,0.0,1.76490915142314,0.0,1.76490915142314
ILE,2HB,0.016163860405192236,1.76490915142314,0.0,0.0,1.76490915142314,0.0,1.76490915142314
ILE,HB3,0.016163860405192236,1.76490915142314,0.0,0.0,1.76490915142314,0.0,1.76490915142314
ILE,3HB,0.016163860405192236,1.76490915142314,0.0,0.0,1.76490915142314,0.0,1.76490915142314
ILE,CG2,-0.4175438009158299,7.379208681658406,0.0,0.0,7.379208681658406,0.0,7.379208681658406
ILE,CG1,0.04982766770259101,7.568668171853806,0.0,0.0,7.568668171853806,0.0,7.568668171853806
ILE,O,-0.50813544372124,5.624236483396409,0.0,0.0,5.624236483396409,0.0,5.624236483396409
ILE,HG2,0.11239010228258807,1.6312144797868813,0.0,0.0,1.6312144797868813,0.0,1.6312144797868813
ILE,HG21,0.11239010228258807,1.6312144797868813,0.0,0.0,1.6312144797868813,0.0,1.6312144797868813
ILE,1HG2,0.11239010228258807,1.6312144797868813,0.0,0.0,1.6312144797868813,0.0,1.6312144797868813
ILE,HG21,0.11239010228258807,1.6312144797868813,0.0,0.0,1.6312144797868813,0.0,1.6312144797868813
ILE,HG22,0.11239010228258807,1.6312144797868813,0.0,0.0,1.6312144797868813,0.0,1.6312144797868813
ILE,2HG2,0.11239010228258807,1.6312144797868813,0.0,0.0,1.6312144797868813,0.0,1.6312144797868813
ILE,HG23,0.11239010228258807,1.6312144797868813,0.0,0.0,1.6312144797868813,0.0,1.6312144797868813
ILE,3HG2,0.11239010228258807,1.6312144797868813,0.0,0.0,1.6312144797868813,0.0,1.6312144797868813
ILE,HG1,0.011404083149936515,1.6987454140106293,0.0,0.0,1.6987454140106293,0.0,1.6987454140106293
ILE,HG12,0.011404083149936515,1.6987454140106293,0.0,0.0,1.6987454140106293,0.0,1.6987454140106293
ILE,1HG1,0.011404083149936515,1.6987454140106293,0.0,0.0,1.6987454140106293,0.0,1.6987454140106293
ILE,HG11,0.011404083149936515,1.6987454140106293,0.0,0.0,1.6987454140106293,0.0,1.6987454140106293
ILE,HG13,0.011404083149936515,1.6987454140106293,0.0,0.0,1.6987454140106293,0.0,1.6987454140106293
ILE,2HG1,0.011404083149936515,1.6987454140106293,0.0,0.0,1.6987454140106293,0.0,1.6987454140106293
ILE,CD,-0.2597451394203544,7.781389809683545,0.0,0.0,7.781389809683545,0.0,7.781389809683545
ILE,CD1,-0.2597451394203544,7.781389809683545,0.0,0.0,7.781389809683545,0.0,7.781389809683545
ILE,CD2,-0.2597451394203544,7.781389809683545,0.0,0.0,7.781389809683545,0.0,7.781389809683545
ILE,HD,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
ILE,HD11,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
ILE,1HD1,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
ILE,HD12,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
ILE,2HD1,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
ILE,HD13,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
ILE,3HD1,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
ILE,HD1,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
ILE,HD2,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
ILE,HD3,0.06870570112972911,1.720754772670339,0.0,0.0,1.720754772670339,0.0,1.720754772670339
LEU,N,-0.3950887957894022,7.47373984947865,0.0,0.0,7.47373984947865,0.0,7.47373984947865
LEU,HN,0.24789072399921996,1.3748753331417454,0.0,0.0,1.3748753331417454,0.0,1.3748753331417454
LEU,H,0.24789072399921996,1.3748753331417454,0.0,0.0,1.3748753331417454,0.0,1.3748753331417454
LEU,CA,-0.036743201968228646,8.433529609457164,0.0,0.0,8.433529609457164,0.0,8.433529609457164
LEU,HA,0.11672198327822386,1.7237236534214575,0.0,0.0,1.7237236534214575,0.0,1.7237236534214575
LEU,CB,-0.2566574448707539,7.951685736896312,0.0,0.0,7.951685736896312,0.0,7.951685736896312
LEU,C,0.5553274201047629,8.168758854668063,0.0,0.0,8.168758854668063,0.0,8.168758854668063
LEU,HB,0.0696506096516671,1.7085059203809474,0.0,0.0,1.7085059203809474,0.0,1.7085059203809474
LEU,HB1,0.0696506096516671,1.7085059203809474,0.0,0.0,1.7085059203809474,0.0,1.7085059203809474
LEU,1HB,0.0696506096516671,1.7085059203809474,0.0,0.0,1.7085059203809474,0.0,1.7085059203809474
LEU,HB2,0.0696506096516671,1.7085059203809474,0.0,0.0,1.7085059203809474,0.0,1.7085059203809474
LEU,2HB,0.0696506096516671,1.7085059203809474,0.0,0.0,1.7085059203809474,0.0,1.7085059203809474
LEU,HB3,0.0696506096516671,1.7085059203809474,0.0,0.0,1.7085059203809474,0.0,1.7085059203809474
LEU,3HB,0.0696506096516671,1.7085059203809474,0.0,0.0,1.7085059203809474,0.0,1.7085059203809474
LEU,CG,0.4739844845382972,7.59083428871933,0.0,0.0,7.59083428871933,0.0,7.59083428871933
LEU,O,-0.5093203087833376,5.800220466701365,0.0,0.0,5.800220466701365,0.0,5.800220466701365
LEU,HG,-0.05607107044919114,1.9135593872483558,0.0,0.0,1.9135593872483558,0.0,1.9135593872483558
LEU,1HG,-0.05607107044919114,1.9135593872483558,0.0,0.0,1.9135593872483558,0.0,1.9135593872483558
LEU,HG1,-0.05607107044919114,1.9135593872483558,0.0,0.0,1.9135593872483558,0.0,1.9135593872483558
LEU,HG2,-0.05607107044919114,1.9135593872483558,0.0,0.0,1.9135593872483558,0.0,1.9135593872483558
LEU,2HG,-0.05607107044919114,1.9135593872483558,0.0,0.0,1.9135593872483558,0.0,1.9135593872483558
LEU,HG3,-0.05607107044919114,1.9135593872483558,0.0,0.0,1.9135593872483558,0.0,1.9135593872483558
LEU,3HG,-0.05607107044919114,1.9135593872483558,0.0,0.0,1.9135593872483558,0.0,1.9135593872483558
LEU,CD,-0.4588476515107213,7.640625039999899,0.0,0.0,7.640625039999899,0.0,7.640625039999899
LEU,CD1,-0.4588476515107213,7.640625039999899,0.0,0.0,7.640625039999899,0.0,7.640625039999899
LEU,CD2,-0.4588476515107213,7.640625039999899,0.0,0.0,7.640625039999899,0.0,7.640625039999899
LEU,HD,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,HD11,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,1HD1,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,HD12,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,2HD1,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,HD13,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,3HD1,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,HD21,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,1HD2,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,HD22,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,2HD2,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,HD23,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LEU,3HD2,0.10639171560975301,1.5696693277733873,0.0,0.0,1.5696693277733873,0.0,1.5696693277733873
LYS,N,-0.2948978346891885,7.431228449329936,0.0,0.0,7.431228449329936,0.0,7.431228449329936
LYS,HN,0.22170210047017633,1.3250035503594715,0.0,0.0,1.3250035503594715,0.0,1.3250035503594715
LYS,H,0.22170210047017633,1.3250035503594715,0.0,0.0,1.3250035503594715,0.0,1.3250035503594715
LYS,CA,-0.08920964128378757,8.475828628564855,0.0,0.0,8.475828628564855,0.0,8.475828628564855
LYS,HA,0.12483621693936742,1.6868869919804022,0.0,0.0,1.6868869919804022,0.0,1.6868869919804022
LYS,CB,-0.2410037478260198,8.000740600192344,0.0,0.0,8.000740600192344,0.0,8.000740600192344
LYS,C,0.6122641789607974,8.162239067557541,0.0,0.0,8.162239067557541,0.0,8.162239067557541
LYS,HB,0.10731865288399897,1.4241439245715308,0.0,0.0,1.4241439245715308,0.0,1.4241439245715308
LYS,HB1,0.10731865288399897,1.4241439245715308,0.0,0.0,1.4241439245715308,0.0,1.4241439245715308
LYS,1HB,0.10731865288399897,1.4241439245715308,0.0,0.0,1.4241439245715308,0.0,1.4241439245715308
LYS,HB2,0.10731865288399897,1.4241439245715308,0.0,0.0,1.4241439245715308,0.0,1.4241439245715308
LYS,2HB,0.10731865288399897,1.4241439245715308,0.0,0.0,1.4241439245715308,0.0,1.4241439245715308
LYS,HB3,0.10731865288399897,1.4241439245715308,0.0,0.0,1.4241439245715308,0.0,1.4241439245715308
LYS,3HB,0.10731865288399897,1.4241439245715308,0.0,0.0,1.4241439245715308,0.0,1.4241439245715308
LYS,CG,-0.0447935657936643,7.830239678110984,0.0,0.0,7.830239678110984,0.0,7.830239678110984
LYS,O,-0.5101742548365508,5.724141878461226,0.0,0.0,5.724141878461226,0.0,5.724141878461226
LYS,HG,0.06390245373686304,1.444435789311222,0.0,0.0,1.444435789311222,0.0,1.444435789311222
LYS,1HG,0.06390245373686304,1.444435789311222,0.0,0.0,1.444435789311222,0.0,1.444435789311222
LYS,HG1,0.06390245373686304,1.444435789311222,0.0,0.0,1.444435789311222,0.0,1.444435789311222
LYS,HG2,0.06390245373686304,1.444435789311222,0.0,0.0,1.444435789311222,0.0,1.444435789311222
LYS,2HG,0.06390245373686304,1.444435789311222,0.0,0.0,1.444435789311222,0.0,1.444435789311222
LYS,HG3,0.06390245373686304,1.444435789311222,0.0,0.0,1.444435789311222,0.0,1.444435789311222
LYS,3HG,0.06390245373686304,1.444435789311222,0.0,0.0,1.444435789311222,0.0,1.444435789311222
LYS,CD,-0.19122411888869634,7.694985065863783,0.0,0.0,7.694985065863783,0.0,7.694985065863783
LYS,HD,0.1149849823181478,1.5399926238918282,0.0,0.0,1.5399926238918282,0.0,1.5399926238918282
LYS,1HD,0.1149849823181478,1.5399926238918282,0.0,0.0,1.5399926238918282,0.0,1.5399926238918282
LYS,HD1,0.1149849823181478,1.5399926238918282,0.0,0.0,1.5399926238918282,0.0,1.5399926238918282
LYS,HD2,0.1149849823181478,1.5399926238918282,0.0,0.0,1.5399926238918282,0.0,1.5399926238918282
LYS,2HD,0.1149849823181478,1.5399926238918282,0.0,0.0,1.5399926238918282,0.0,1.5399926238918282
LYS,HD3,0.1149849823181478,1.5399926238918282,0.0,0.0,1.5399926238918282,0.0,1.5399926238918282
LYS,3HD,0.1149849823181478,1.5399926238918282,0.0,0.0,1.5399926238918282,0.0,1.5399926238918282
LYS,CE,-0.03873470887225846,7.219503634429452,0.0,0.0,7.219503634429452,0.0,7.219503634429452
LYS,HE,0.1430219257696038,1.4770961432044145,0.0,0.0,1.4770961432044145,0.0,1.4770961432044145
LYS,HE2,0.1430219257696038,1.4770961432044145,0.0,0.0,1.4770961432044145,0.0,1.4770961432044145
LYS,1HE,0.1430219257696038,1.4770961432044145,0.0,0.0,1.4770961432044145,0.0,1.4770961432044145
LYS,HE1,0.1430219257696038,1.4770961432044145,0.0,0.0,1.4770961432044145,0.0,1.4770961432044145
LYS,HE3,0.1430219257696038,1.4770961432044145,0.0,0.0,1.4770961432044145,0.0,1.4770961432044145
LYS,2HE,0.1430219257696038,1.4770961432044145,0.0,0.0,1.4770961432044145,0.0,1.4770961432044145
LYS,NZ,-0.5102252188776493,5.298826403855266,0.0,0.0,5.298826403855266,0.0,5.298826403855266
LYS,HZ,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
LYS,HZ1,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
LYS,1HZ,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
LYS,HNZ1,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
LYS,HZ2,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
LYS,2HZ,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
LYS,HNZ2,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
LYS,HZ3,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
LYS,3HZ,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
LYS,HNZ3,0.3676681884267489,0.9217175274954912,0.0,0.0,0.9217175274954912,0.0,0.9217175274954912
MET,N,-0.4062256934666192,7.408000738494205,0.0,0.0,7.408000738494205,0.0,7.408000738494205
MET,HN,0.24854784981404332,1.2058108814091986,0.0,0.0,1.2058108814091986,0.0,1.2058108814091986
MET,H,0.24854784981404332,1.2058108814091986,0.0,0.0,1.2058108814091986,0.0,1.2058108814091986
MET,CA,0.022153865379874727,8.58299040758641,0.0,0.0,8.58299040758641,0.0,8.58299040758641
MET,HA,0.09627115060322207,1.616446709469303,0.0,0.0,1.616446709469303,0.0,1.616446709469303
MET,CB,-0.03593333995809002,8.35766689415906,0.0,0.0,8.35766689415906,0.0,8.35766689415906
MET,C,0.5336536060945959,8.110711576540618,0.0,0.0,8.110711576540618,0.0,8.110711576540618
MET,HB,0.045727395433443195,1.248606914421128,0.0,0.0,1.248606914421128,0.0,1.248606914421128
MET,HB1,0.045727395433443195,1.248606914421128,0.0,0.0,1.248606914421128,0.0,1.248606914421128
MET,1HB,0.045727395433443195,1.248606914421128,0.0,0.0,1.248606914421128,0.0,1.248606914421128
MET,HB2,0.045727395433443195,1.248606914421128,0.0,0.0,1.248606914421128,0.0,1.248606914421128
MET,2HB,0.045727395433443195,1.248606914421128,0.0,0.0,1.248606914421128,0.0,1.248606914421128
MET,HB3,0.045727395433443195,1.248606914421128,0.0,0.0,1.248606914421128,0.0,1.248606914421128
MET,3HB,0.045727395433443195,1.248606914421128,0.0,0.0,1.248606914421128,0.0,1.248606914421128
MET,CG,-0.22747618547104945,9.288292899218085,0.0,0.0,9.288292899218085,0.0,9.288292899218085
MET,O,-0.502515058596846,5.68224448505195,0.0,0.0,5.68224448505195,0.0,5.68224448505195
MET,HG,0.12636799173607638,1.4131311724166298,0.0,0.0,1.4131311724166298,0.0,1.4131311724166298
MET,1HG,0.12636799173607638,1.4131311724166298,0.0,0.0,1.4131311724166298,0.0,1.4131311724166298
MET,HG1,0.12636799173607638,1.4131311724166298,0.0,0.0,1.4131311724166298,0.0,1.4131311724166298
MET,HG2,0.12636799173607638,1.4131311724166298,0.0,0.0,1.4131311724166298,0.0,1.4131311724166298
MET,2HG,0.12636799173607638,1.4131311724166298,0.0,0.0,1.4131311724166298,0.0,1.4131311724166298
MET,HG3,0.12636799173607638,1.4131311724166298,0.0,0.0,1.4131311724166298,0.0,1.4131311724166298
MET,3HG,0.12636799173607638,1.4131311724166298,0.0,0.0,1.4131311724166298,0.0,1.4131311724166298
MET,SD,-0.12002691080980492,18.828794169106793,0.0,0.0,18.828794169106793,0.0,18.828794169106793
MET,CE,-0.5247612934904549,8.689832833256844,0.0,0.0,8.689832833256844,0.0,8.689832833256844
MET,HE,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
MET,HE1,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
MET,1HE,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
MET,HE1,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
MET,HE2,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
MET,2HE,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
MET,HE2,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
MET,HE3,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
MET,3HE,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
MET,HE3,0.19070707852069638,1.4531631430998204,0.0,0.0,1.4531631430998204,0.0,1.4531631430998204
PHE,N,-0.39971837787877385,7.854553386338921,0.0,0.0,7.854553386338921,0.0,7.854553386338921
PHE,HN,0.2519281099924795,1.311678761820044,0.0,0.0,1.311678761820044,0.0,1.311678761820044
PHE,H,0.2519281099924795,1.311678761820044,0.0,0.0,1.311678761820044,0.0,1.311678761820044
PHE,CA,0.011944426448662332,8.30617930903049,0.0,0.0,8.30617930903049,0.0,8.30617930903049
PHE,HA,0.10937520059699875,1.582549933676973,0.0,0.0,1.582549933676973,0.0,1.582549933676973
PHE,CB,-0.2607915354888179,8.40210182922153,0.0,0.0,8.40210182922153,0.0,8.40210182922153
PHE,C,0.5339062068249869,7.592241948401216,0.0,0.0,7.592241948401216,0.0,7.592241948401216
PHE,HB,0.09220609865569587,1.4535000645096952,0.0,0.0,1.4535000645096952,0.0,1.4535000645096952
PHE,HB1,0.09220609865569587,1.4535000645096952,0.0,0.0,1.4535000645096952,0.0,1.4535000645096952
PHE,1HB,0.09220609865569587,1.4535000645096952,0.0,0.0,1.4535000645096952,0.0,1.4535000645096952
PHE,HB2,0.09220609865569587,1.4535000645096952,0.0,0.0,1.4535000645096952,0.0,1.4535000645096952
PHE,2HB,0.09220609865569587,1.4535000645096952,0.0,0.0,1.4535000645096952,0.0,1.4535000645096952
PHE,HB3,0.09220609865569587,1.4535000645096952,0.0,0.0,1.4535000645096952,0.0,1.4535000645096952
PHE,3HB,0.09220609865569587,1.4535000645096952,0.0,0.0,1.4535000645096952,0.0,1.4535000645096952
PHE,CG,0.16112226729231044,8.999856411986041,0.0,0.0,8.999856411986041,0.0,8.999856411986041
PHE,O,-0.4883486926539425,5.299949841261663,0.0,0.0,5.299949841261663,0.0,5.299949841261663
PHE,CD,-0.1668562697739637,8.757461881643298,0.0,0.0,8.757461881643298,0.0,8.757461881643298
PHE,CD1,-0.1668562697739637,8.757461881643298,0.0,0.0,8.757461881643298,0.0,8.757461881643298
PHE,CD2,-0.1668562697739637,8.757461881643298,0.0,0.0,8.757461881643298,0.0,8.757461881643298
PHE,HD,0.1336388331079108,1.6091690151745333,0.0,0.0,1.6091690151745333,0.0,1.6091690151745333
PHE,HD1,0.1336388331079108,1.6091690151745333,0.0,0.0,1.6091690151745333,0.0,1.6091690151745333
PHE,HD2,0.1336388331079108,1.6091690151745333,0.0,0.0,1.6091690151745333,0.0,1.6091690151745333
PHE,CE,-0.17210280422498644,8.869514219249913,0.0,0.0,8.869514219249913,0.0,8.869514219249913
PHE,CE1,-0.17210280422498644,8.869514219249913,0.0,0.0,8.869514219249913,0.0,8.869514219249913
PHE,CE2,-0.17210280422498644,8.869514219249913,0.0,0.0,8.869514219249913,0.0,8.869514219249913
PHE,HE,0.13994377238328684,1.9292507438164417,0.0,0.0,1.9292507438164417,0.0,1.9292507438164417
PHE,HE1,0.13994377238328684,1.9292507438164417,0.0,0.0,1.9292507438164417,0.0,1.9292507438164417
PHE,HE2,0.13994377238328684,1.9292507438164417,0.0,0.0,1.9292507438164417,0.0,1.9292507438164417
PHE,CZ,-0.09650762136275669,8.910896881511244,0.0,0.0,8.910896881511244,0.0,8.910896881511244
PHE,HZ,0.12343075593296625,2.2229982511978026,0.0,0.0,2.2229982511978026,0.0,2.2229982511978026
PRO,N,-0.20361420100571892,7.789315728503118,0.0,0.0,7.789315728503118,0.0,7.789315728503118
PRO,CD,-0.06497995128040747,6.970118991498269,0.0,0.0,6.970118991498269,0.0,6.970118991498269
PRO,CA,0.0016814271192752306,8.064879793065918,0.0,0.0,8.064879793065918,0.0,8.064879793065918
PRO,HD,0.06117163663554957,1.6103760564864427,0.0,0.0,1.6103760564864427,0.0,1.6103760564864427
PRO,HD2,0.06117163663554957,1.6103760564864427,0.0,0.0,1.6103760564864427,0.0,1.6103760564864427
PRO,1HD,0.06117163663554957,1.6103760564864427,0.0,0.0,1.6103760564864427,0.0,1.6103760564864427
PRO,HD2,0.06117163663554957,1.6103760564864427,0.0,0.0,1.6103760564864427,0.0,1.6103760564864427
PRO,HD3,0.06117163663554957,1.6103760564864427,0.0,0.0,1.6103760564864427,0.0,1.6103760564864427
PRO,2HD,0.06117163663554957,1.6103760564864427,0.0,0.0,1.6103760564864427,0.0,1.6103760564864427
PRO,HD1,0.06117163663554957,1.6103760564864427,0.0,0.0,1.6103760564864427,0.0,1.6103760564864427
PRO,CG,-0.03938367229725037,7.279948034985322,0.0,0.0,7.279948034985322,0.0,7.279948034985322
PRO,CB,-0.1171020134068849,7.135417885584893,0.0,0.0,7.135417885584893,0.0,7.135417885584893
PRO,HA,0.060909958562146344,1.8203841500572093,0.0,0.0,1.8203841500572093,0.0,1.8203841500572093
PRO,C,0.5163140632183296,8.085043267719051,0.0,0.0,8.085043267719051,0.0,8.085043267719051
PRO,HG,0.05059932746461172,1.7654587352465139,0.0,0.0,1.7654587352465139,0.0,1.7654587352465139
PRO,1HG,0.05059932746461172,1.7654587352465139,0.0,0.0,1.7654587352465139,0.0,1.7654587352465139
PRO,HG1,0.05059932746461172,1.7654587352465139,0.0,0.0,1.7654587352465139,0.0,1.7654587352465139
PRO,HG2,0.05059932746461172,1.7654587352465139,0.0,0.0,1.7654587352465139,0.0,1.7654587352465139
PRO,2HG,0.05059932746461172,1.7654587352465139,0.0,0.0,1.7654587352465139,0.0,1.7654587352465139
PRO,HG3,0.05059932746461172,1.7654587352465139,0.0,0.0,1.7654587352465139,0.0,1.7654587352465139
PRO,3HG,0.05059932746461172,1.7654587352465139,0.0,0.0,1.7654587352465139,0.0,1.7654587352465139
PRO,HB,0.05787601424966608,1.6217101629863968,0.0,0.0,1.6217101629863968,0.0,1.6217101629863968
PRO,HB1,0.05787601424966608,1.6217101629863968,0.0,0.0,1.6217101629863968,0.0,1.6217101629863968
PRO,1HB,0.05787601424966608,1.6217101629863968,0.0,0.0,1.6217101629863968,0.0,1.6217101629863968
PRO,HB2,0.05787601424966608,1.6217101629863968,0.0,0.0,1.6217101629863968,0.0,1.6217101629863968
PRO,2HB,0.05787601424966608,1.6217101629863968,0.0,0.0,1.6217101629863968,0.0,1.6217101629863968
PRO,HB3,0.05787601424966608,1.6217101629863968,0.0,0.0,1.6217101629863968,0.0,1.6217101629863968
PRO,3HB,0.05787601424966608,1.6217101629863968,0.0,0.0,1.6217101629863968,0.0,1.6217101629863968
PRO,O,-0.4931195676091443,5.45717783095735,0.0,0.0,5.45717783095735,0.0,5.45717783095735
SER,N,-0.36207580413162277,7.355654516090845,0.0,0.0,7.355654516090845,0.0,7.355654516090845
SER,HN,0.2512207280140813,1.2757937134154975,0.0,0.0,1.2757937134154975,0.0,1.2757937134154975
SER,H,0.2512207280140813,1.2757937134154975,0.0,0.0,1.2757937134154975,0.0,1.2757937134154975
SER,CA,-0.10308645161041739,8.235966464912137,0.0,0.0,8.235966464912137,0.0,8.235966464912137
SER,HA,0.1301068422610837,1.779310631165561,0.0,0.0,1.779310631165561,0.0,1.779310631165561
SER,CB,0.09642502555187334,7.299476956401125,0.0,0.0,7.299476956401125,0.0,7.299476956401125
SER,C,0.5638770577312737,8.04196924467613,0.0,0.0,8.04196924467613,0.0,8.04196924467613
SER,HB,0.03654339969154563,1.6857628319477778,0.0,0.0,1.6857628319477778,0.0,1.6857628319477778
SER,HB1,0.03654339969154563,1.6857628319477778,0.0,0.0,1.6857628319477778,0.0,1.6857628319477778
SER,1HB,0.03654339969154563,1.6857628319477778,0.0,0.0,1.6857628319477778,0.0,1.6857628319477778
SER,HB2,0.03654339969154563,1.6857628319477778,0.0,0.0,1.6857628319477778,0.0,1.6857628319477778
SER,2HB,0.03654339969154563,1.6857628319477778,0.0,0.0,1.6857628319477778,0.0,1.6857628319477778
SER,HB3,0.03654339969154563,1.6857628319477778,0.0,0.0,1.6857628319477778,0.0,1.6857628319477778
SER,3HB,0.03654339969154563,1.6857628319477778,0.0,0.0,1.6857628319477778,0.0,1.6857628319477778
SER,OG,-0.5298184185949627,5.6366096917054715,0.0,0.0,5.6366096917054715,0.0,5.6366096917054715
SER,O,-0.49396481575971657,5.698256192590819,0.0,0.0,5.698256192590819,0.0,5.698256192590819
SER,HG,0.37422903715531614,1.4629063916402025,0.0,0.0,1.4629063916402025,0.0,1.4629063916402025
SER,HG1,0.37422903715531614,1.4629063916402025,0.0,0.0,1.4629063916402025,0.0,1.4629063916402025
THR,N,-0.38523254076543434,7.5041905500370945,0.0,0.0,7.5041905500370945,0.0,7.5041905500370945
THR,HN,0.2533493917030239,1.257852891460018,0.0,0.0,1.257852891460018,0.0,1.257852891460018
THR,H,0.2533493917030239,1.257852891460018,0.0,0.0,1.257852891460018,0.0,1.257852891460018
THR,CA,-0.05705705929325364,8.35296446316638,0.0,0.0,8.35296446316638,0.0,8.35296446316638
THR,HA,0.11457844244464312,1.758195605319335,0.0,0.0,1.758195605319335,0.0,1.758195605319335
THR,CB,0.329058625361384,7.432588947247166,0.0,0.0,7.432588947247166,0.0,7.432588947247166
THR,C,0.5443291058526045,7.8567064989888244,0.0,0.0,7.8567064989888244,0.0,7.8567064989888244
THR,HB,-0.016235785389968945,1.863351701099377,0.0,0.0,1.863351701099377,0.0,1.863351701099377
THR,HB1,-0.016235785389968945,1.863351701099377,0.0,0.0,1.863351701099377,0.0,1.863351701099377
THR,1HB,-0.016235785389968945,1.863351701099377,0.0,0.0,1.863351701099377,0.0,1.863351701099377
THR,HB2,-0.016235785389968945,1.863351701099377,0.0,0.0,1.863351701099377,0.0,1.863351701099377
THR,2HB,-0.016235785389968945,1.863351701099377,0.0,0.0,1.863351701099377,0.0,1.863351701099377
THR,HB3,-0.016235785389968945,1.863351701099377,0.0,0.0,1.863351701099377,0.0,1.863351701099377
THR,3HB,-0.016235785389968945,1.863351701099377,0.0,0.0,1.863351701099377,0.0,1.863351701099377
THR,CG,-0.4155267430999219,7.626739434025071,0.0,0.0,7.626739434025071,0.0,7.626739434025071
THR,CG2,-0.4155267430999219,7.626739434025071,0.0,0.0,7.626739434025071,0.0,7.626739434025071
THR,OG,-0.5920579237817918,5.581094281263054,0.0,0.0,5.581094281263054,0.0,5.581094281263054
THR,OG1,-0.5920579237817918,5.581094281263054,0.0,0.0,5.581094281263054,0.0,5.581094281263054
THR,O,-0.4952992695269376,5.636605804559461,0.0,0.0,5.636605804559461,0.0,5.636605804559461
THR,HG2,0.11322633947211466,1.6726368617161211,0.0,0.0,1.6726368617161211,0.0,1.6726368617161211
THR,HG21,0.11322633947211466,1.6726368617161211,0.0,0.0,1.6726368617161211,0.0,1.6726368617161211
THR,1HG2,0.11322633947211466,1.6726368617161211,0.0,0.0,1.6726368617161211,0.0,1.6726368617161211
THR,HG22,0.11322633947211466,1.6726368617161211,0.0,0.0,1.6726368617161211,0.0,1.6726368617161211
THR,2HG2,0.11322633947211466,1.6726368617161211,0.0,0.0,1.6726368617161211,0.0,1.6726368617161211
THR,HG23,0.11322633947211466,1.6726368617161211,0.0,0.0,1.6726368617161211,0.0,1.6726368617161211
THR,3HG2,0.11322633947211466,1.6726368617161211,0.0,0.0,1.6726368617161211,0.0,1.6726368617161211
THR,HG1,0.3804147380793085,1.4735904270720055,0.0,0.0,1.4735904270720055,0.0,1.4735904270720055
THR,HG1,0.3804147380793085,1.4735904270720055,0.0,0.0,1.4735904270720055,0.0,1.4735904270720055
THR,HOG1,0.3804147380793085,1.4735904270720055,0.0,0.0,1.4735904270720055,0.0,1.4735904270720055
TRP,N,-0.40381434975164276,7.825761909224073,0.0,0.0,7.825761909224073,0.0,7.825761909224073
TRP,HN,0.2516954331126834,1.1942253451003395,0.0,0.0,1.1942253451003395,0.0,1.1942253451003395
TRP,H,0.2516954331126834,1.1942253451003395,0.0,0.0,1.1942253451003395,0.0,1.1942253451003395
TRP,CA,0.017208090385803437,8.250224728201252,0.0,0.0,8.250224728201252,0.0,8.250224728201252
TRP,HA,0.1112784358738616,1.477833121754034,0.0,0.0,1.477833121754034,0.0,1.477833121754034
TRP,CB,-0.278539681566764,8.296863370922592,0.0,0.0,8.296863370922592,0.0,8.296863370922592
TRP,C,0.5269892707772252,7.290989486923745,0.0,0.0,7.290989486923745,0.0,7.290989486923745
TRP,HB,0.10805971253278839,1.1860663440961572,0.0,0.0,1.1860663440961572,0.0,1.1860663440961572
TRP,HB1,0.10805971253278839,1.1860663440961572,0.0,0.0,1.1860663440961572,0.0,1.1860663440961572
TRP,1HB,0.10805971253278839,1.1860663440961572,0.0,0.0,1.1860663440961572,0.0,1.1860663440961572
TRP,HB2,0.10805971253278839,1.1860663440961572,0.0,0.0,1.1860663440961572,0.0,1.1860663440961572
TRP,2HB,0.10805971253278839,1.1860663440961572,0.0,0.0,1.1860663440961572,0.0,1.1860663440961572
TRP,HB3,0.10805971253278839,1.1860663440961572,0.0,0.0,1.1860663440961572,0.0,1.1860663440961572
TRP,3HB,0.10805971253278839,1.1860663440961572,0.0,0.0,1.1860663440961572,0.0,1.1860663440961572
TRP,CG,0.001687274489208755,9.454174887406882,0.0,0.0,9.454174887406882,0.0,9.454174887406882
TRP,O,-0.4855279516450888,5.222141153732647,0.0,0.0,5.222141153732647,0.0,5.222141153732647
TRP,CD1,-0.1982527312287176,9.086233156225186,0.0,0.0,9.086233156225186,0.0,9.086233156225186
TRP,CD2,0.11950849301481575,9.29640799942875,0.0,0.0,9.29640799942875,0.0,9.29640799942875
TRP,HD,0.1902581260201684,1.911953296464519,0.0,0.0,1.911953296464519,0.0,1.911953296464519
TRP,HD1,0.1902581260201684,1.911953296464519,0.0,0.0,1.911953296464519,0.0,1.911953296464519
TRP,NE,-0.39174802238703504,7.157327974749502,0.0,0.0,7.157327974749502,0.0,7.157327974749502
TRP,NE1,-0.39174802238703504,7.157327974749502,0.0,0.0,7.157327974749502,0.0,7.157327974749502
TRP,CE2,0.18913719854357905,9.301926333997498,0.0,0.0,9.301926333997498,0.0,9.301926333997498
TRP,CE3,-0.2195770247827552,9.197710350847075,0.0,0.0,9.197710350847075,0.0,9.197710350847075
TRP,HE1,0.3529538043295255,1.429896760885852,0.0,0.0,1.429896760885852,0.0,1.429896760885852
TRP,CZ2,-0.25737617952859104,9.70442465351767,0.0,0.0,9.70442465351767,0.0,9.70442465351767
TRP,CZ3,-0.1821135888119183,9.367532185350996,0.0,0.0,9.367532185350996,0.0,9.367532185350996
TRP,HE3,0.15103873082677066,1.7088958113740145,0.0,0.0,1.7088958113740145,0.0,1.7088958113740145
TRP,HZ2,0.1531760105581407,2.0656115221632807,0.0,0.0,2.0656115221632807,0.0,2.0656115221632807
TRP,CH2,-0.14716559162586831,9.240578658418043,0.0,0.0,9.240578658418043,0.0,9.240578658418043
TRP,HZ3,0.1416345443885614,2.073741352309472,0.0,0.0,2.073741352309472,0.0,2.073741352309472
TRP,HH2,0.14143028394246035,2.217132438144829,0.0,0.0,2.217132438144829,0.0,2.217132438144829
TYR,N,-0.39721086394084915,7.882087911523158,0.0,0.0,7.882087911523158,0.0,7.882087911523158
TYR,HN,0.24698676769975594,1.286489283937044,0.0,0.0,1.286489283937044,0.0,1.286489283937044
TYR,H,0.24698676769975594,1.286489283937044,0.0,0.0,1.286489283937044,0.0,1.286489283937044
TYR,CA,0.0017001998247875231,8.343026744352755,0.0,0.0,8.343026744352755,0.0,8.343026744352755
TYR,HA,0.10863344733998898,1.5532058284169596,0.0,0.0,1.5532058284169596,0.0,1.5532058284169596
TYR,CB,-0.23516416743049565,8.505101295564565,0.0,0.0,8.505101295564565,0.0,8.505101295564565
TYR,C,0.5358354850236742,7.578323585273568,0.0,0.0,7.578323585273568,0.0,7.578323585273568
TYR,HB,0.08823236402802076,1.3930280929640944,0.0,0.0,1.3930280929640944,0.0,1.3930280929640944
TYR,HB1,0.08823236402802076,1.3930280929640944,0.0,0.0,1.3930280929640944,0.0,1.3930280929640944
TYR,1HB,0.08823236402802076,1.3930280929640944,0.0,0.0,1.3930280929640944,0.0,1.3930280929640944
TYR,HB2,0.08823236402802076,1.3930280929640944,0.0,0.0,1.3930280929640944,0.0,1.3930280929640944
TYR,2HB,0.08823236402802076,1.3930280929640944,0.0,0.0,1.3930280929640944,0.0,1.3930280929640944
TYR,HB3,0.08823236402802076,1.3930280929640944,0.0,0.0,1.3930280929640944,0.0,1.3930280929640944
TYR,3HB,0.08823236402802076,1.3930280929640944,0.0,0.0,1.3930280929640944,0.0,1.3930280929640944
TYR,CG,0.13759774446749398,9.196787570332761,0.0,0.0,9.196787570332761,0.0,9.196787570332761
TYR,O,-0.4883409839248243,5.274151317707287,0.0,0.0,5.274151317707287,0.0,5.274151317707287
TYR,CD,-0.19534554426718706,8.80130634307451,0.0,0.0,8.80130634307451,0.0,8.80130634307451
TYR,CD1,-0.19534554426718706,8.80130634307451,0.0,0.0,8.80130634307451,0.0,8.80130634307451
TYR,CD2,-0.19534554426718706,8.80130634307451,0.0,0.0,8.80130634307451,0.0,8.80130634307451
TYR,HD,0.15308168390466087,1.5489922305743202,0.0,0.0,1.5489922305743202,0.0,1.5489922305743202
TYR,HD1,0.15308168390466087,1.5489922305743202,0.0,0.0,1.5489922305743202,0.0,1.5489922305743202
TYR,HD2,0.15308168390466087,1.5489922305743202,0.0,0.0,1.5489922305743202,0.0,1.5489922305743202
TYR,CE,-0.2676855882688002,9.106711685126646,0.0,0.0,9.106711685126646,0.0,9.106711685126646
TYR,CE1,-0.2676855882688002,9.106711685126646,0.0,0.0,9.106711685126646,0.0,9.106711685126646
TYR,CE2,-0.2676855882688002,9.106711685126646,0.0,0.0,9.106711685126646,0.0,9.106711685126646
TYR,HE,0.17244168402422635,1.8567406327797844,0.0,0.0,1.8567406327797844,0.0,1.8567406327797844
TYR,HE1,0.17244168402422635,1.8567406327797844,0.0,0.0,1.8567406327797844,0.0,1.8567406327797844
TYR,HE2,0.17244168402422635,1.8567406327797844,0.0,0.0,1.8567406327797844,0.0,1.8567406327797844
TYR,CZ,0.3175695323474475,8.705219641522644,0.0,0.0,8.705219641522644,0.0,8.705219641522644
TYR,OH,-0.4678426829122877,6.01747387427834,0.0,0.0,6.01747387427834,0.0,6.01747387427834
TYR,HH,0.3387863226634672,1.2109382456046653,0.0,0.0,1.2109382456046653,0.0,1.2109382456046653
VAL,N,-0.4095944344491121,7.494947030666737,0.0,0.0,7.494947030666737,0.0,7.494947030666737
VAL,HN,0.2537820301395783,1.400663198438765,0.0,0.0,1.400663198438765,0.0,1.400663198438765
VAL,H,0.2537820301395783,1.400663198438765,0.0,0.0,1.400663198438765,0.0,1.400663198438765
VAL,CA,-0.10626927416694705,8.338778350464041,0.0,0.0,8.338778350464041,0.0,8.338778350464041
VAL,HA,0.11515048234574382,1.8062466431862492,0.0,0.0,1.8062466431862492,0.0,1.8062466431862492
VAL,CB,0.3381904547035028,7.692707393762178,0.0,0.0,7.692707393762178,0.0,7.692707393762178
VAL,C,0.5533678999066616,7.964023327151014,0.0,0.0,7.964023327151014,0.0,7.964023327151014
VAL,HB,-0.021543761216407418,1.8929486813035366,0.0,0.0,1.8929486813035366,0.0,1.8929486813035366
VAL,HB1,-0.021543761216407418,1.8929486813035366,0.0,0.0,1.8929486813035366,0.0,1.8929486813035366
VAL,1HB,-0.021543761216407418,1.8929486813035366,0.0,0.0,1.8929486813035366,0.0,1.8929486813035366
VAL,HB2,-0.021543761216407418,1.8929486813035366,0.0,0.0,1.8929486813035366,0.0,1.8929486813035366
VAL,2HB,-0.021543761216407418,1.8929486813035366,0.0,0.0,1.8929486813035366,0.0,1.8929486813035366
VAL,HB3,-0.021543761216407418,1.8929486813035366,0.0,0.0,1.8929486813035366,0.0,1.8929486813035366
VAL,3HB,-0.021543761216407418,1.8929486813035366,0.0,0.0,1.8929486813035366,0.0,1.8929486813035366
VAL,CG,-0.44262822901075477,7.5809824817972835,0.0,0.0,7.5809824817972835,0.0,7.5809824817972835
VAL,CG1,-0.44262822901075477,7.5809824817972835,0.0,0.0,7.5809824817972835,0.0,7.5809824817972835
VAL,CG2,-0.44262822901075477,7.5809824817972835,0.0,0.0,7.5809824817972835,0.0,7.5809824817972835
VAL,O,-0.5067331694252173,5.7093361217194625,0.0,0.0,5.7093361217194625,0.0,5.7093361217194625
VAL,HG,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,HG11,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,1HG1,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,HG21,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,HG12,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,2HG1,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,HG22,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,HG13,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,3HG1,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,HG23,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,HG21,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,1HG2,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,HG22,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,2HG2,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,HG23,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
VAL,3HG2,0.11148437169728449,1.5988681116569055,0.0,0.0,1.5988681116569055,0.0,1.5988681116569055
ASH,N,-0.35679621911268733,7.279115579850148,0.0,0.0,7.279115579850148,0.0,7.279115579850148
ASPH,N,-0.35679621911268733,7.279115579850148,0.0,0.0,7.279115579850148,0.0,7.279115579850148
ASH,HN,0.24415829710861575,1.2905494184236639,0.0,0.0,1.2905494184236639,0.0,1.2905494184236639
ASPH,HN,0.24415829710861575,1.2905494184236639,0.0,0.0,1.2905494184236639,0.0,1.2905494184236639
ASH,H,0.24415829710861575,1.2905494184236639,0.0,0.0,1.2905494184236639,0.0,1.2905494184236639
ASPH,H,0.24415829710861575,1.2905494184236639,0.0,0.0,1.2905494184236639,0.0,1.2905494184236639
ASH,CA,-0.04094907012958458,8.132853306790823,0.0,0.0,8.132853306790823,0.0,8.132853306790823
ASPH,CA,-0.04094907012958458,8.132853306790823,0.0,0.0,8.132853306790823,0.0,8.132853306790823
ASH,HA,0.12063800356604064,1.5696479554090241,0.0,0.0,1.5696479554090241,0.0,1.5696479554090241
ASPH,HA,0.12063800356604064,1.5696479554090241,0.0,0.0,1.5696479554090241,0.0,1.5696479554090241
ASH,CB,-0.27957205885142805,7.858358261666186,0.0,0.0,7.858358261666186,0.0,7.858358261666186
ASPH,CB,-0.27957205885142805,7.858358261666186,0.0,0.0,7.858358261666186,0.0,7.858358261666186
ASH,C,0.5599472771246284,8.039695827425001,0.0,0.0,8.039695827425001,0.0,8.039695827425001
ASPH,C,0.5599472771246284,8.039695827425001,0.0,0.0,8.039695827425001,0.0,8.039695827425001
ASH,HB,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASPH,HB,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASH,HB1,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASPH,HB1,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASH,1HB,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASPH,1HB,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASH,HB2,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASPH,HB2,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASH,2HB,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASPH,2HB,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASH,HB3,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASPH,HB3,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASH,3HB,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASPH,3HB,0.12409213048316278,1.4242411506587895,0.0,0.0,1.4242411506587895,0.0,1.4242411506587895
ASH,CG,0.6694612680373865,7.408245370903125,0.0,0.0,7.408245370903125,0.0,7.408245370903125
ASPH,CG,0.6694612680373865,7.408245370903125,0.0,0.0,7.408245370903125,0.0,7.408245370903125
ASH,O,-0.5002415219033445,5.728641055607332,0.0,0.0,5.728641055607332,0.0,5.728641055607332
ASPH,O,-0.5002415219033445,5.728641055607332,0.0,0.0,5.728641055607332,0.0,5.728641055607332
ASH,OD1,-0.4994833850890893,5.277379400829747,0.0,0.0,5.277379400829747,0.0,5.277379400829747
ASPH,OD1,-0.4994833850890893,5.277379400829747,0.0,0.0,5.277379400829747,0.0,5.277379400829747
ASH,OD2,-0.580211109769831,5.781301774485733,0.0,0.0,5.781301774485733,0.0,5.781301774485733
ASPH,OD2,-0.580211109769831,5.781301774485733,0.0,0.0,5.781301774485733,0.0,5.781301774485733
ASH,HD,0.4148642580529679,1.4860549611752663,0.0,0.0,1.4860549611752663,0.0,1.4860549611752663
ASPH,HD,0.4148642580529679,1.4860549611752663,0.0,0.0,1.4860549611752663,0.0,1.4860549611752663
ASH,HD2,0.4148642580529679,1.4860549611752663,0.0,0.0,1.4860549611752663,0.0,1.4860549611752663
ASPH,HD2,0.4148642580529679,1.4860549611752663,0.0,0.0,1.4860549611752663,0.0,1.4860549611752663
ASH,HD1,0.4148642580529679,1.4860549611752663,0.0,0.0,1.4860549611752663,0.0,1.4860549611752663
ASPH,HD1,0.4148642580529679,1.4860549611752663,0.0,0.0,1.4860549611752663,0.0,1.4860549611752663
CYD,N,-0.5987457609317601,8.531922384251924,0.0,0.0,8.531922384251924,0.0,8.531922384251924
CYM,N,-0.5987457609317601,8.531922384251924,0.0,0.0,8.531922384251924,0.0,8.531922384251924
CYD,HN,0.3079195674283529,0.9204648998545527,0.0,0.0,0.9204648998545527,0.0,0.9204648998545527
CYM,HN,0.3079195674283529,0.9204648998545527,0.0,0.0,0.9204648998545527,0.0,0.9204648998545527
CYD,H,0.3079195674283529,0.9204648998545527,0.0,0.0,0.9204648998545527,0.0,0.9204648998545527
CYM,H,0.3079195674283529,0.9204648998545527,0.0,0.0,0.9204648998545527,0.0,0.9204648998545527
CYD,CA,0.12357594392201526,12.28806692290328,0.0,0.0,12.28806692290328,0.0,12.28806692290328
CYM,CA,0.12357594392201526,12.28806692290328,0.0,0.0,12.28806692290328,0.0,12.28806692290328
CYD,HA,0.0721733859812436,1.3995705815334176,0.0,0.0,1.3995705815334176,0.0,1.3995705815334176
CYM,HA,0.0721733859812436,1.3995705815334176,0.0,0.0,1.3995705815334176,0.0,1.3995705815334176
CYD,CB,-0.022738732001489563,13.75539905229681,0.0,0.0,13.75539905229681,0.0,13.75539905229681
CYM,CB,-0.022738732001489563,13.75539905229681,0.0,0.0,13.75539905229681,0.0,13.75539905229681
CYD,C,0.4109398563578718,8.61741620351478,0.0,0.0,8.61741620351478,0.0,8.61741620351478
CYM,C,0.4109398563578718,8.61741620351478,0.0,0.0,8.61741620351478,0.0,8.61741620351478
CYD,HB,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYM,HB,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYD,HB1,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYM,HB1,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYD,1HB,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYM,1HB,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYD,HB2,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYM,HB2,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYD,2HB,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYM,2HB,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYD,HB3,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYM,HB3,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYD,3HB,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYM,3HB,0.03162283817771873,0.9350111517000759,0.0,0.0,0.9350111517000759,0.0,0.9350111517000759
CYD,SG,-0.8684218908750347,32.25248428744364,0.0,0.0,32.25248428744364,0.0,32.25248428744364
CYM,SG,-0.8684218908750347,32.25248428744364,0.0,0.0,32.25248428744364,0.0,32.25248428744364
CYD,S,-0.8684218908750347,32.25248428744364,0.0,0.0,32.25248428744364,0.0,32.25248428744364
CYM,S,-0.8684218908750347,32.25248428744364,0.0,0.0,32.25248428744364,0.0,32.25248428744364
CYD,O,-0.48794804623663657,5.708023335557176,0.0,0.0,5.708023335557176,0.0,5.708023335557176
CYM,O,-0.48794804623663657,5.708023335557176,0.0,0.0,5.708023335557176,0.0,5.708023335557176
CYX,N,-0.3554135338291092,6.1567520835514955,0.0,0.0,6.1567520835514955,0.0,6.1567520835514955
CYS1,N,-0.3554135338291092,6.1567520835514955,0.0,0.0,6.1567520835514955,0.0,6.1567520835514955
CYS2,N,-0.3554135338291092,6.1567520835514955,0.0,0.0,6.1567520835514955,0.0,6.1567520835514955
CYX,HN,0.23946966027763902,0.14252320330411933,0.0,0.0,0.14252320330411933,0.0,0.14252320330411933
CYS1,HN,0.23946966027763902,0.14252320330411933,0.0,0.0,0.14252320330411933,0.0,0.14252320330411933
CYS2,HN,0.23946966027763902,0.14252320330411933,0.0,0.0,0.14252320330411933,0.0,0.14252320330411933
CYX,H,0.23946966027763902,0.14252320330411933,0.0,0.0,0.14252320330411933,0.0,0.14252320330411933
CYS1,H,0.23946966027763902,0.14252320330411933,0.0,0.0,0.14252320330411933,0.0,0.14252320330411933
CYS2,H,0.23946966027763902,0.14252320330411933,0.0,0.0,0.14252320330411933,0.0,0.14252320330411933
CYX,CA,-0.03233591267890171,7.391795543290413,0.0,0.0,7.391795543290413,0.0,7.391795543290413
CYS1,CA,-0.03233591267890171,7.391795543290413,0.0,0.0,7.391795543290413,0.0,7.391795543290413
CYS2,CA,-0.03233591267890171,7.391795543290413,0.0,0.0,7.391795543290413,0.0,7.391795543290413
CYX,HA,0.14461617765506313,1.9167230767311092,0.0,0.0,1.9167230767311092,0.0,1.9167230767311092
CYS1,HA,0.14461617765506313,1.9167230767311092,0.0,0.0,1.9167230767311092,0.0,1.9167230767311092
CYS2,HA,0.14461617765506313,1.9167230767311092,0.0,0.0,1.9167230767311092,0.0,1.9167230767311092
CYX,CB,-0.3438067350957633,9.440800577688178,0.0,0.0,9.440800577688178,0.0,9.440800577688178
CYS1,CB,-0.3438067350957633,9.440800577688178,0.0,0.0,9.440800577688178,0.0,9.440800577688178
CYS2,CB,-0.3438067350957633,9.440800577688178,0.0,0.0,9.440800577688178,0.0,9.440800577688178
CYX,C,0.5671930986203314,5.95235013130427,0.0,0.0,5.95235013130427,0.0,5.95235013130427
CYS1,C,0.5671930986203314,5.95235013130427,0.0,0.0,5.95235013130427,0.0,5.95235013130427
CYS2,C,0.5671930986203314,5.95235013130427,0.0,0.0,5.95235013130427,0.0,5.95235013130427
CYX,HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS1,HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS2,HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYX,HB1,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS1,HB1,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS2,HB1,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYX,1HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS1,1HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS2,1HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYX,HB2,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS1,HB2,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS2,HB2,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYX,2HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS1,2HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS2,2HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYX,HB3,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS1,HB3,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS2,HB3,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYX,3HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS1,3HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYS2,3HB,0.16157586910984426,1.399690676143881,0.0,0.0,1.399690676143881,0.0,1.399690676143881
CYX,SG,-0.052430180383541615,21.79055298466497,0.0,0.0,21.79055298466497,0.0,21.79055298466497
CYS1,SG,-0.052430180383541615,21.79055298466497,0.0,0.0,21.79055298466497,0.0,21.79055298466497
CYS2,SG,-0.052430180383541615,21.79055298466497,0.0,0.0,21.79055298466497,0.0,21.79055298466497
CYX,S,-0.052430180383541615,21.79055298466497,0.0,0.0,21.79055298466497,0.0,21.79055298466497
CYS1,S,-0.052430180383541615,21.79055298466497,0.0,0.0,21.79055298466497,0.0,21.79055298466497
CYS2,S,-0.052430180383541615,21.79055298466497,0.0,0.0,21.79055298466497,0.0,21.79055298466497
CYX,O,-0.49044431278540623,4.9489111182115355,0.0,0.0,4.9489111182115355,0.0,4.9489111182115355
CYS1,O,-0.49044431278540623,4.9489111182115355,0.0,0.0,4.9489111182115355,0.0,4.9489111182115355
CYS2,O,-0.49044431278540623,4.9489111182115355,0.0,0.0,4.9489111182115355,0.0,4.9489111182115355
GLH,N,-0.3689556407140614,7.370286792624073,0.0,0.0,7.370286792624073,0.0,7.370286792624073
GLUH,N,-0.3689556407140614,7.370286792624073,0.0,0.0,7.370286792624073,0.0,7.370286792624073
GLH,HN,0.24198281378744424,1.2612586221792232,0.0,0.0,1.2612586221792232,0.0,1.2612586221792232
GLUH,HN,0.24198281378744424,1.2612586221792232,0.0,0.0,1.2612586221792232,0.0,1.2612586221792232
GLH,H,0.24198281378744424,1.2612586221792232,0.0,0.0,1.2612586221792232,0.0,1.2612586221792232
GLUH,H,0.24198281378744424,1.2612586221792232,0.0,0.0,1.2612586221792232,0.0,1.2612586221792232
GLH,CA,-0.06302511744609862,8.335939078883783,0.0,0.0,8.335939078883783,0.0,8.335939078883783
GLUH,CA,-0.06302511744609862,8.335939078883783,0.0,0.0,8.335939078883783,0.0,8.335939078883783
GLH,HA,0.12158410235314797,1.678622570574681,0.0,0.0,1.678622570574681,0.0,1.678622570574681
GLUH,HA,0.12158410235314797,1.678622570574681,0.0,0.0,1.678622570574681,0.0,1.678622570574681
GLH,CB,-0.10885322674280073,7.576513268511141,0.0,0.0,7.576513268511141,0.0,7.576513268511141
GLUH,CB,-0.10885322674280073,7.576513268511141,0.0,0.0,7.576513268511141,0.0,7.576513268511141
GLH,C,0.5652812543293063,8.03584029338914,0.0,0.0,8.03584029338914,0.0,8.03584029338914
GLUH,C,0.5652812543293063,8.03584029338914,0.0,0.0,8.03584029338914,0.0,8.03584029338914
GLH,HB,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLUH,HB,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLH,HB1,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLUH,HB1,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLH,1HB,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLUH,1HB,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLH,HB2,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLUH,HB2,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLH,2HB,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLUH,2HB,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLH,HB3,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLUH,HB3,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLH,3HB,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLUH,3HB,0.0689043407792656,1.3434758528659205,0.0,0.0,1.3434758528659205,0.0,1.3434758528659205
GLH,CG,-0.1379805571458634,7.833722957983065,0.0,0.0,7.833722957983065,0.0,7.833722957983065
GLUH,CG,-0.1379805571458634,7.833722957983065,0.0,0.0,7.833722957983065,0.0,7.833722957983065
GLH,O,-0.5101790142418954,5.737251014843832,0.0,0.0,5.737251014843832,0.0,5.737251014843832
GLUH,O,-0.5101790142418954,5.737251014843832,0.0,0.0,5.737251014843832,0.0,5.737251014843832
GLH,HG,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLUH,HG,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLH,1HG,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLUH,1HG,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLH,HG1,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLUH,HG1,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLH,HG2,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLUH,HG2,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLH,2HG,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLUH,2HG,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLH,HG3,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLUH,HG3,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLH,3HG,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLUH,3HG,0.08099968582034707,1.4460354050125426,0.0,0.0,1.4460354050125426,0.0,1.4460354050125426
GLH,CD,0.6537055447951899,7.522272372189837,0.0,0.0,7.522272372189837,0.0,7.522272372189837
GLUH,CD,0.6537055447951899,7.522272372189837,0.0,0.0,7.522272372189837,0.0,7.522272372189837
GLH,OE1,-0.538711155983943,5.818245633374176,0.0,0.0,5.818245633374176,0.0,5.818245633374176
GLUH,OE1,-0.538711155983943,5.818245633374176,0.0,0.0,5.818245633374176,0.0,5.818245633374176
GLH,OE2,-0.5733304143120861,5.406821027823873,0.0,0.0,5.406821027823873,0.0,5.406821027823873
GLUH,OE2,-0.5733304143120861,5.406821027823873,0.0,0.0,5.406821027823873,0.0,5.406821027823873
GLH,HE,0.4186733581224349,1.5141869273430648,0.0,0.0,1.5141869273430648,0.0,1.5141869273430648
GLUH,HE,0.4186733581224349,1.5141869273430648,0.0,0.0,1.5141869273430648,0.0,1.5141869273430648
GLH,HE2,0.4186733581224349,1.5141869273430648,0.0,0.0,1.5141869273430648,0.0,1.5141869273430648
GLUH,HE2,0.4186733581224349,1.5141869273430648,0.0,0.0,1.5141869273430648,0.0,1.5141869273430648
LYD,N,-0.39548411856830407,7.406921846254895,0.0,0.0,7.406921846254895,0.0,7.406921846254895
LYN,N,-0.39548411856830407,7.406921846254895,0.0,0.0,7.406921846254895,0.0,7.406921846254895
LYSH,N,-0.39548411856830407,7.406921846254895,0.0,0.0,7.406921846254895,0.0,7.406921846254895
LYD,HN,0.24753119945158972,1.2641981199508907,0.0,0.0,1.2641981199508907,0.0,1.2641981199508907
LYN,HN,0.24753119945158972,1.2641981199508907,0.0,0.0,1.2641981199508907,0.0,1.2641981199508907
LYSH,HN,0.24753119945158972,1.2641981199508907,0.0,0.0,1.2641981199508907,0.0,1.2641981199508907
LYD,H,0.24753119945158972,1.2641981199508907,0.0,0.0,1.2641981199508907,0.0,1.2641981199508907
LYN,H,0.24753119945158972,1.2641981199508907,0.0,0.0,1.2641981199508907,0.0,1.2641981199508907
LYSH,H,0.24753119945158972,1.2641981199508907,0.0,0.0,1.2641981199508907,0.0,1.2641981199508907
LYD,CA,-0.028038175076846982,8.416409184658683,0.0,0.0,8.416409184658683,0.0,8.416409184658683
LYN,CA,-0.028038175076846982,8.416409184658683,0.0,0.0,8.416409184658683,0.0,8.416409184658683
LYSH,CA,-0.028038175076846982,8.416409184658683,0.0,0.0,8.416409184658683,0.0,8.416409184658683
LYD,HA,0.10318269403805247,1.674616544176265,0.0,0.0,1.674616544176265,0.0,1.674616544176265
LYN,HA,0.10318269403805247,1.674616544176265,0.0,0.0,1.674616544176265,0.0,1.674616544176265
LYSH,HA,0.10318269403805247,1.674616544176265,0.0,0.0,1.674616544176265,0.0,1.674616544176265
LYD,CB,-0.1261465152433164,7.928239457826133,0.0,0.0,7.928239457826133,0.0,7.928239457826133
LYN,CB,-0.1261465152433164,7.928239457826133,0.0,0.0,7.928239457826133,0.0,7.928239457826133
LYSH,CB,-0.1261465152433164,7.928239457826133,0.0,0.0,7.928239457826133,0.0,7.928239457826133
LYD,C,0.5440267432273458,8.106032072907203,0.0,0.0,8.106032072907203,0.0,8.106032072907203
LYN,C,0.5440267432273458,8.106032072907203,0.0,0.0,8.106032072907203,0.0,8.106032072907203
LYSH,C,0.5440267432273458,8.106032072907203,0.0,0.0,8.106032072907203,0.0,8.106032072907203
LYD,HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYN,HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYSH,HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYD,HB1,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYN,HB1,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYSH,HB1,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYD,1HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYN,1HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYSH,1HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYD,HB2,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYN,HB2,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYSH,HB2,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYD,2HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYN,2HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYSH,2HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYD,HB3,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYN,HB3,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYSH,HB3,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYD,3HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYN,3HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYSH,3HB,0.05034984251816664,1.4092265435076032,0.0,0.0,1.4092265435076032,0.0,1.4092265435076032
LYD,CG,0.030900040995783397,7.814557288001254,0.0,0.0,7.814557288001254,0.0,7.814557288001254
LYN,CG,0.030900040995783397,7.814557288001254,0.0,0.0,7.814557288001254,0.0,7.814557288001254
LYSH,CG,0.030900040995783397,7.814557288001254,0.0,0.0,7.814557288001254,0.0,7.814557288001254
LYD,O,-0.5050165588801432,5.761350826213928,0.0,0.0,5.761350826213928,0.0,5.761350826213928
LYN,O,-0.5050165588801432,5.761350826213928,0.0,0.0,5.761350826213928,0.0,5.761350826213928
LYSH,O,-0.5050165588801432,5.761350826213928,0.0,0.0,5.761350826213928,0.0,5.761350826213928
LYD,HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYN,HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYSH,HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYD,1HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYN,1HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYSH,1HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYD,HG1,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYN,HG1,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYSH,HG1,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYD,HG2,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYN,HG2,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYSH,HG2,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYD,2HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYN,2HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYSH,2HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYD,HG3,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYN,HG3,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYSH,HG3,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYD,3HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYN,3HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYSH,3HG,0.015395174489027904,1.4551520178619817,0.0,0.0,1.4551520178619817,0.0,1.4551520178619817
LYD,CD,-0.08493309113128737,7.869975119264387,0.0,0.0,7.869975119264387,0.0,7.869975119264387
LYN,CD,-0.08493309113128737,7.869975119264387,0.0,0.0,7.869975119264387,0.0,7.869975119264387
LYSH,CD,-0.08493309113128737,7.869975119264387,0.0,0.0,7.869975119264387,0.0,7.869975119264387
LYD,HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYN,HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYSH,HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYD,1HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYN,1HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYSH,1HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYD,HD1,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYN,HD1,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYSH,HD1,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYD,HD2,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYN,HD2,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYSH,HD2,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYD,2HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYN,2HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYSH,2HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYD,HD3,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYN,HD3,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYSH,HD3,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYD,3HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYN,3HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYSH,3HD,0.0444258863582853,1.5803840505062057,0.0,0.0,1.5803840505062057,0.0,1.5803840505062057
LYD,CE,0.1378968739193974,7.830157287196384,0.0,0.0,7.830157287196384,0.0,7.830157287196384
LYN,CE,0.1378968739193974,7.830157287196384,0.0,0.0,7.830157287196384,0.0,7.830157287196384
LYSH,CE,0.1378968739193974,7.830157287196384,0.0,0.0,7.830157287196384,0.0,7.830157287196384
LYD,HE,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYN,HE,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYSH,HE,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYD,HE2,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYN,HE2,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYSH,HE2,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYD,1HE,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYN,1HE,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYSH,1HE,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYD,HE1,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYN,HE1,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYSH,HE1,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYD,HE3,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYN,HE3,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYSH,HE3,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYD,2HE,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYN,2HE,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYSH,2HE,0.02317618908829039,1.7007646696726253,0.0,0.0,1.7007646696726253,0.0,1.7007646696726253
LYD,NZ,-0.7932521333484363,7.832589138679044,0.0,0.0,7.832589138679044,0.0,7.832589138679044
LYN,NZ,-0.7932521333484363,7.832589138679044,0.0,0.0,7.832589138679044,0.0,7.832589138679044
LYSH,NZ,-0.7932521333484363,7.832589138679044,0.0,0.0,7.832589138679044,0.0,7.832589138679044
LYD,HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYD,HZ1,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,HZ1,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,HZ1,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYD,1HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,1HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,1HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYD,HNZ1,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,HNZ1,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,HNZ1,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYD,HZ2,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,HZ2,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,HZ2,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYD,2HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,2HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,2HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYD,HNZ2,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,HNZ2,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,HNZ2,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYD,HZ3,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,HZ3,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,HZ3,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYD,3HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,3HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,3HZ,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYD,HNZ3,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYN,HNZ3,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
LYSH,HNZ3,0.3013194278543125,1.4292845705120678,0.0,0.0,1.4292845705120678,0.0,1.4292845705120678
NALA,HN,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,H1,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,1H,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,HN1,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,HT1,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,H2,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,2H,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,HN2,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,HT2,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,H3,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,3H,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,HN3,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,HT3,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,H,0.40203577038186167,1.3588446346260146,0.0,0.0,1.3588446346260146,0.0,1.3588446346260146
NALA,N,-0.6638879826917421,5.298117414803754,0.0,0.0,5.298117414803754,0.0,5.298117414803754
NALA,CA,-0.006601912766160229,7.509209213250385,0.0,0.0,7.509209213250385,0.0,7.509209213250385
NALA,HA,0.1585702886517022,1.862202904872113,0.0,0.0,1.862202904872113,0.0,1.862202904872113
NALA,CB,-0.34321660964693546,7.195276692378305,0.0,0.0,7.195276692378305,0.0,7.195276692378305
NALA,C,0.701494649885925,8.125534603002043,0.0,0.0,8.125534603002043,0.0,8.125534603002043
NALA,HB,0.1490132710964081,1.9044699732813022,0.0,0.0,1.9044699732813022,0.0,1.9044699732813022
NALA,HB1,0.1490132710964081,1.9044699732813022,0.0,0.0,1.9044699732813022,0.0,1.9044699732813022
NALA,1HB,0.1490132710964081,1.9044699732813022,0.0,0.0,1.9044699732813022,0.0,1.9044699732813022
NALA,HB2,0.1490132710964081,1.9044699732813022,0.0,0.0,1.9044699732813022,0.0,1.9044699732813022
NALA,2HB,0.1490132710964081,1.9044699732813022,0.0,0.0,1.9044699732813022,0.0,1.9044699732813022
NALA,HB3,0.1490132710964081,1.9044699732813022,0.0,0.0,1.9044699732813022,0.0,1.9044699732813022
NALA,3HB,0.1490132710964081,1.9044699732813022,0.0,0.0,1.9044699732813022,0.0,1.9044699732813022
NALA,O,-0.49950555786759887,5.61285973581566,0.0,0.0,5.61285973581566,0.0,5.61285973581566
NARG,HN,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,H1,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,1H,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,HN1,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,HT1,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,H2,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,2H,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,HN2,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,HT2,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,H3,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,3H,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,HN3,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,HT3,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,H,0.39767425225828285,0.8547996132097133,0.0,0.0,0.8547996132097133,0.0,0.8547996132097133
NARG,N,-0.5962927939843061,5.109955932455155,0.0,0.0,5.109955932455155,0.0,5.109955932455155
NARG,CA,-0.22267672724664256,7.89009667992921,0.0,0.0,7.89009667992921,0.0,7.89009667992921
NARG,HA,0.2327553281849979,1.6128659952189743,0.0,0.0,1.6128659952189743,0.0,1.6128659952189743
NARG,CB,-0.307612195019646,7.52416736050067,0.0,0.0,7.52416736050067,0.0,7.52416736050067
NARG,C,0.804176426902974,8.325155297535693,0.0,0.0,8.325155297535693,0.0,8.325155297535693
NARG,HB,0.1792101336865588,1.3879362654709342,0.0,0.0,1.3879362654709342,0.0,1.3879362654709342
NARG,HB1,0.1792101336865588,1.3879362654709342,0.0,0.0,1.3879362654709342,0.0,1.3879362654709342
NARG,1HB,0.1792101336865588,1.3879362654709342,0.0,0.0,1.3879362654709342,0.0,1.3879362654709342
NARG,HB2,0.1792101336865588,1.3879362654709342,0.0,0.0,1.3879362654709342,0.0,1.3879362654709342
NARG,2HB,0.1792101336865588,1.3879362654709342,0.0,0.0,1.3879362654709342,0.0,1.3879362654709342
NARG,HB3,0.1792101336865588,1.3879362654709342,0.0,0.0,1.3879362654709342,0.0,1.3879362654709342
NARG,3HB,0.1792101336865588,1.3879362654709342,0.0,0.0,1.3879362654709342,0.0,1.3879362654709342
NARG,CG,-0.2469664688976019,7.6733308492274785,0.0,0.0,7.6733308492274785,0.0,7.6733308492274785
NARG,CG,-0.2469664688976019,7.6733308492274785,0.0,0.0,7.6733308492274785,0.0,7.6733308492274785
NARG,O,-0.5058714059399949,5.492558484954186,0.0,0.0,5.492558484954186,0.0,5.492558484954186
NARG,O,-0.5058714059399949,5.492558484954186,0.0,0.0,5.492558484954186,0.0,5.492558484954186
NARG,HG,0.15784818725542896,1.4893714742373731,0.0,0.0,1.4893714742373731,0.0,1.4893714742373731
NARG,1HG,0.15784818725542896,1.4893714742373731,0.0,0.0,1.4893714742373731,0.0,1.4893714742373731
NARG,HG1,0.15784818725542896,1.4893714742373731,0.0,0.0,1.4893714742373731,0.0,1.4893714742373731
NARG,HG2,0.15784818725542896,1.4893714742373731,0.0,0.0,1.4893714742373731,0.0,1.4893714742373731
NARG,2HG,0.15784818725542896,1.4893714742373731,0.0,0.0,1.4893714742373731,0.0,1.4893714742373731
NARG,HG3,0.15784818725542896,1.4893714742373731,0.0,0.0,1.4893714742373731,0.0,1.4893714742373731
NARG,3HG,0.15784818725542896,1.4893714742373731,0.0,0.0,1.4893714742373731,0.0,1.4893714742373731
NARG,CD,-0.11135642987114655,7.2332776342579885,0.0,0.0,7.2332776342579885,0.0,7.2332776342579885
NARG,HD,0.1680490126737181,1.4284212105743141,0.0,0.0,1.4284212105743141,0.0,1.4284212105743141
NARG,1HD,0.1680490126737181,1.4284212105743141,0.0,0.0,1.4284212105743141,0.0,1.4284212105743141
NARG,HD1,0.1680490126737181,1.4284212105743141,0.0,0.0,1.4284212105743141,0.0,1.4284212105743141
NARG,HD2,0.1680490126737181,1.4284212105743141,0.0,0.0,1.4284212105743141,0.0,1.4284212105743141
NARG,2HD,0.1680490126737181,1.4284212105743141,0.0,0.0,1.4284212105743141,0.0,1.4284212105743141
NARG,HD3,0.1680490126737181,1.4284212105743141,0.0,0.0,1.4284212105743141,0.0,1.4284212105743141
NARG,3HD,0.1680490126737181,1.4284212105743141,0.0,0.0,1.4284212105743141,0.0,1.4284212105743141
NARG,NE,-0.4394335417678067,7.210648784992228,0.0,0.0,7.210648784992228,0.0,7.210648784992228
NARG,HE,0.38078543610446675,1.1745354155749061,0.0,0.0,1.1745354155749061,0.0,1.1745354155749061
NARG,HE,0.38078543610446675,1.1745354155749061,0.0,0.0,1.1745354155749061,0.0,1.1745354155749061
NARG,CZ,0.5183408975181962,8.050202786528391,0.0,0.0,8.050202786528391,0.0,8.050202786528391
NARG,NH,-0.6816650146539833,6.2932374708491885,0.0,0.0,6.2932374708491885,0.0,6.2932374708491885
NARG,NH1,-0.6816650146539833,6.2932374708491885,0.0,0.0,6.2932374708491885,0.0,6.2932374708491885
NARG,NH2,-0.6816650146539833,6.2932374708491885,0.0,0.0,6.2932374708491885,0.0,6.2932374708491885
NARG,HH,0.41356101982955407,0.8101617296376966,0.0,0.0,0.8101617296376966,0.0,0.8101617296376966
NARG,HH11,0.41356101982955407,0.8101617296376966,0.0,0.0,0.8101617296376966,0.0,0.8101617296376966
NARG,1HH1,0.41356101982955407,0.8101617296376966,0.0,0.0,0.8101617296376966,0.0,0.8101617296376966
NARG,HH12,0.41356101982955407,0.8101617296376966,0.0,0.0,0.8101617296376966,0.0,0.8101617296376966
NARG,2HH1,0.41356101982955407,0.8101617296376966,0.0,0.0,0.8101617296376966,0.0,0.8101617296376966
NARG,HH21,0.41356101982955407,0.8101617296376966,0.0,0.0,0.8101617296376966,0.0,0.8101617296376966
NARG,1HH2,0.41356101982955407,0.8101617296376966,0.0,0.0,0.8101617296376966,0.0,0.8101617296376966
NARG,HH22,0.41356101982955407,0.8101617296376966,0.0,0.0,0.8101617296376966,0.0,0.8101617296376966
NARG,2HH2,0.41356101982955407,0.8101617296376966,0.0,0.0,0.8101617296376966,0.0,0.8101617296376966
NASN,HN,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,H1,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,1H,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,HN1,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,HT1,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,H2,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,2H,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,HN2,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,HT2,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,H3,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,3H,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,HN3,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,HT3,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,H,0.39493532086925986,0.9290146004211616,0.0,0.0,0.9290146004211616,0.0,0.9290146004211616
NASN,N,-0.6235495901651676,5.113755363318992,0.0,0.0,5.113755363318992,0.0,5.113755363318992
NASN,CA,-0.15736364437663697,7.806612934742657,0.0,0.0,7.806612934742657,0.0,7.806612934742657
NASN,HA,0.20985255456177096,1.4764922829583198,0.0,0.0,1.4764922829583198,0.0,1.4764922829583198
NASN,CB,-0.4816874787215894,7.822543296723818,0.0,0.0,7.822543296723818,0.0,7.822543296723818
NASN,C,0.7396205499904452,8.17111588469066,0.0,0.0,8.17111588469066,0.0,8.17111588469066
NASN,HB,0.2006172869108741,1.4967708955948784,0.0,0.0,1.4967708955948784,0.0,1.4967708955948784
NASN,HB1,0.2006172869108741,1.4967708955948784,0.0,0.0,1.4967708955948784,0.0,1.4967708955948784
NASN,1HB,0.2006172869108741,1.4967708955948784,0.0,0.0,1.4967708955948784,0.0,1.4967708955948784
NASN,HB2,0.2006172869108741,1.4967708955948784,0.0,0.0,1.4967708955948784,0.0,1.4967708955948784
NASN,2HB,0.2006172869108741,1.4967708955948784,0.0,0.0,1.4967708955948784,0.0,1.4967708955948784
NASN,HB3,0.2006172869108741,1.4967708955948784,0.0,0.0,1.4967708955948784,0.0,1.4967708955948784
NASN,3HB,0.2006172869108741,1.4967708955948784,0.0,0.0,1.4967708955948784,0.0,1.4967708955948784
NASN,CG,0.7692362310384355,8.021243435233096,0.0,0.0,8.021243435233096,0.0,8.021243435233096
NASN,O,-0.4834356920406244,5.506799148672235,0.0,0.0,5.506799148672235,0.0,5.506799148672235
NASN,OD,-0.48256079510266386,5.49584242496756,0.0,0.0,5.49584242496756,0.0,5.49584242496756
NASN,OD1,-0.48256079510266386,5.49584242496756,0.0,0.0,5.49584242496756,0.0,5.49584242496756
NASN,ND,-0.9247418064307428,7.147643594151019,0.0,0.0,7.147643594151019,0.0,7.147643594151019
NASN,ND2,-0.9247418064307428,7.147643594151019,0.0,0.0,7.147643594151019,0.0,7.147643594151019
NASN,HD,0.42429456740862265,1.2577097244590099,0.0,0.0,1.2577097244590099,0.0,1.2577097244590099
NASN,HD21,0.42429456740862265,1.2577097244590099,0.0,0.0,1.2577097244590099,0.0,1.2577097244590099
NASN,1HD2,0.42429456740862265,1.2577097244590099,0.0,0.0,1.2577097244590099,0.0,1.2577097244590099
NASN,HN21,0.42429456740862265,1.2577097244590099,0.0,0.0,1.2577097244590099,0.0,1.2577097244590099
NASN,HD22,0.42429456740862265,1.2577097244590099,0.0,0.0,1.2577097244590099,0.0,1.2577097244590099
NASN,2HD2,0.42429456740862265,1.2577097244590099,0.0,0.0,1.2577097244590099,0.0,1.2577097244590099
NASN,HN22,0.42429456740862265,1.2577097244590099,0.0,0.0,1.2577097244590099,0.0,1.2577097244590099
NASP,HN,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,H1,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,1H,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,HN1,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,HT1,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,H2,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,2H,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,HN2,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,HT2,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,H3,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,3H,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,HN3,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,HT3,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,H,0.3802503458541335,0.9309593665837165,0.0,0.0,0.9309593665837165,0.0,0.9309593665837165
NASP,N,-0.6764954861177046,5.495016776672314,0.0,0.0,5.495016776672314,0.0,5.495016776672314
NASP,CA,-0.05134330095652382,9.373858937746682,0.0,0.0,9.373858937746682,0.0,9.373858937746682
NASP,HA,0.15196228060295122,1.4446112199729342,0.0,0.0,1.4446112199729342,0.0,1.4446112199729342
NASP,CB,-0.29978294488783797,10.254725225776465,0.0,0.0,10.254725225776465,0.0,10.254725225776465
NASP,C,0.5903729355890579,8.686279545266151,0.0,0.0,8.686279545266151,0.0,8.686279545266151
NASP,HB,0.09661088096193482,1.5939395523770497,0.0,0.0,1.5939395523770497,0.0,1.5939395523770497
NASP,HB1,0.09661088096193482,1.5939395523770497,0.0,0.0,1.5939395523770497,0.0,1.5939395523770497
NASP,1HB,0.09661088096193482,1.5939395523770497,0.0,0.0,1.5939395523770497,0.0,1.5939395523770497
NASP,HB2,0.09661088096193482,1.5939395523770497,0.0,0.0,1.5939395523770497,0.0,1.5939395523770497
NASP,2HB,0.09661088096193482,1.5939395523770497,0.0,0.0,1.5939395523770497,0.0,1.5939395523770497
NASP,HB3,0.09661088096193482,1.5939395523770497,0.0,0.0,1.5939395523770497,0.0,1.5939395523770497
NASP,3HB,0.09661088096193482,1.5939395523770497,0.0,0.0,1.5939395523770497,0.0,1.5939395523770497
NASP,CG,0.8328743274637914,9.996112101170825,0.0,0.0,9.996112101170825,0.0,9.996112101170825
NASP,O,-0.46983731563484604,5.676028382506278,0.0,0.0,5.676028382506278,0.0,5.676028382506278
NASP,OD,-0.7058616477725791,6.508525886585787,0.0,0.0,6.508525886585787,0.0,6.508525886585787
NASP,OD1,-0.7058616477725791,6.508525886585787,0.0,0.0,6.508525886585787,0.0,6.508525886585787
NASP,OD2,-0.7058616477725791,6.508525886585787,0.0,0.0,6.508525886585787,0.0,6.508525886585787
NCYS,HN,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,H1,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,1H,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,HN1,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,HT1,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,H2,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,2H,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,HN2,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,HT2,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,H3,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,3H,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,HN3,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,HT3,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,H,0.40067539292656723,0.7802665749426,0.0,0.0,0.7802665749426,0.0,0.7802665749426
NCYS,N,-0.6497602068990677,5.3983820407992145,0.0,0.0,5.3983820407992145,0.0,5.3983820407992145
NCYS,CA,-0.19417483222155535,8.64919709650289,0.0,0.0,8.64919709650289,0.0,8.64919709650289
NCYS,HA,0.23708891228231516,1.551379786522947,0.0,0.0,1.551379786522947,0.0,1.551379786522947
NCYS,CB,-0.40122713585102154,8.936014606409842,0.0,0.0,8.936014606409842,0.0,8.936014606409842
NCYS,C,0.7680074711803676,8.305846591052285,0.0,0.0,8.305846591052285,0.0,8.305846591052285
NCYS,HB,0.22844164843401135,1.3894515567360612,0.0,0.0,1.3894515567360612,0.0,1.3894515567360612
NCYS,HB1,0.22844164843401135,1.3894515567360612,0.0,0.0,1.3894515567360612,0.0,1.3894515567360612
NCYS,1HB,0.22844164843401135,1.3894515567360612,0.0,0.0,1.3894515567360612,0.0,1.3894515567360612
NCYS,HB2,0.22844164843401135,1.3894515567360612,0.0,0.0,1.3894515567360612,0.0,1.3894515567360612
NCYS,2HB,0.22844164843401135,1.3894515567360612,0.0,0.0,1.3894515567360612,0.0,1.3894515567360612
NCYS,HB3,0.22844164843401135,1.3894515567360612,0.0,0.0,1.3894515567360612,0.0,1.3894515567360612
NCYS,3HB,0.22844164843401135,1.3894515567360612,0.0,0.0,1.3894515567360612,0.0,1.3894515567360612
NCYS,SG,-0.08094222699872547,17.08461143490751,0.0,0.0,17.08461143490751,0.0,17.08461143490751
NCYS,S,-0.08094222699872547,17.08461143490751,0.0,0.0,17.08461143490751,0.0,17.08461143490751
NCYS,O,-0.49157326901044734,5.539682221846147,0.0,0.0,5.539682221846147,0.0,5.539682221846147
NCYS,HG,0.15367181187041012,2.441055189053541,0.0,0.0,2.441055189053541,0.0,2.441055189053541
NCYS,HG1,0.15367181187041012,2.441055189053541,0.0,0.0,2.441055189053541,0.0,2.441055189053541
NGLN,HN,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,H1,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,1H,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,HN1,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,HT1,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,H2,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,2H,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,HN2,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,HT2,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,H3,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,3H,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,HN3,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,HT3,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,H,0.39399578100503146,0.8713813222437556,0.0,0.0,0.8713813222437556,0.0,0.8713813222437556
NGLN,N,-0.6285885075832889,5.176233611849288,0.0,0.0,5.176233611849288,0.0,5.176233611849288
NGLN,CA,-0.1914210520523015,7.906518433626121,0.0,0.0,7.906518433626121,0.0,7.906518433626121
NGLN,HA,0.2128833611004169,1.6452369417449115,0.0,0.0,1.6452369417449115,0.0,1.6452369417449115
NGLN,CB,-0.15311334884450734,7.467089048584574,0.0,0.0,7.467089048584574,0.0,7.467089048584574
NGLN,C,0.7314824038576653,8.187547792233158,0.0,0.0,8.187547792233158,0.0,8.187547792233158
NGLN,HB,0.14453163724015128,1.371790055526459,0.0,0.0,1.371790055526459,0.0,1.371790055526459
NGLN,HB1,0.14453163724015128,1.371790055526459,0.0,0.0,1.371790055526459,0.0,1.371790055526459
NGLN,1HB,0.14453163724015128,1.371790055526459,0.0,0.0,1.371790055526459,0.0,1.371790055526459
NGLN,HB2,0.14453163724015128,1.371790055526459,0.0,0.0,1.371790055526459,0.0,1.371790055526459
NGLN,2HB,0.14453163724015128,1.371790055526459,0.0,0.0,1.371790055526459,0.0,1.371790055526459
NGLN,HB3,0.14453163724015128,1.371790055526459,0.0,0.0,1.371790055526459,0.0,1.371790055526459
NGLN,3HB,0.14453163724015128,1.371790055526459,0.0,0.0,1.371790055526459,0.0,1.371790055526459
NGLN,CG,-0.4386775095948413,8.008320577423266,0.0,0.0,8.008320577423266,0.0,8.008320577423266
NGLN,O,-0.4899616924932983,5.511004400071339,0.0,0.0,5.511004400071339,0.0,5.511004400071339
NGLN,HG,0.16283489032106518,1.5802709767841427,0.0,0.0,1.5802709767841427,0.0,1.5802709767841427
NGLN,1HG,0.16283489032106518,1.5802709767841427,0.0,0.0,1.5802709767841427,0.0,1.5802709767841427
NGLN,HG1,0.16283489032106518,1.5802709767841427,0.0,0.0,1.5802709767841427,0.0,1.5802709767841427
NGLN,HG2,0.16283489032106518,1.5802709767841427,0.0,0.0,1.5802709767841427,0.0,1.5802709767841427
NGLN,2HG,0.16283489032106518,1.5802709767841427,0.0,0.0,1.5802709767841427,0.0,1.5802709767841427
NGLN,HG3,0.16283489032106518,1.5802709767841427,0.0,0.0,1.5802709767841427,0.0,1.5802709767841427
NGLN,3HG,0.16283489032106518,1.5802709767841427,0.0,0.0,1.5802709767841427,0.0,1.5802709767841427
NGLN,CD,0.7641198275510562,8.081945481752385,0.0,0.0,8.081945481752385,0.0,8.081945481752385
NGLN,OE,-0.4993577176440834,5.603212024444557,0.0,0.0,5.603212024444557,0.0,5.603212024444557
NGLN,OE1,-0.4993577176440834,5.603212024444557,0.0,0.0,5.603212024444557,0.0,5.603212024444557
NGLN,NE,-0.9472773073068239,7.342938368321378,0.0,0.0,7.342938368321378,0.0,7.342938368321378
NGLN,NE2,-0.9472773073068239,7.342938368321378,0.0,0.0,7.342938368321378,0.0,7.342938368321378
NGLN,HE,0.42159557243623946,1.2816231939002514,0.0,0.0,1.2816231939002514,0.0,1.2816231939002514
NGLN,HE21,0.42159557243623946,1.2816231939002514,0.0,0.0,1.2816231939002514,0.0,1.2816231939002514
NGLN,1HE2,0.42159557243623946,1.2816231939002514,0.0,0.0,1.2816231939002514,0.0,1.2816231939002514
NGLN,HE22,0.42159557243623946,1.2816231939002514,0.0,0.0,1.2816231939002514,0.0,1.2816231939002514
NGLN,2HE2,0.42159557243623946,1.2816231939002514,0.0,0.0,1.2816231939002514,0.0,1.2816231939002514
NGLU,HN,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,H1,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,1H,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,HN1,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,HT1,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,H2,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,2H,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,HN2,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,HT2,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,H3,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,3H,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,HN3,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,HT3,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,H,0.3810732859469414,0.7039748165888016,0.0,0.0,0.7039748165888016,0.0,0.7039748165888016
NGLU,N,-0.6723910822030071,5.6992461434656185,0.0,0.0,5.6992461434656185,0.0,5.6992461434656185
NGLU,CA,-0.08681538135204425,10.127730011036897,0.0,0.0,10.127730011036897,0.0,10.127730011036897
NGLU,HA,0.16305355122377593,1.556281445904631,0.0,0.0,1.556281445904631,0.0,1.556281445904631
NGLU,CB,0.006766963808328399,9.856870919136139,0.0,0.0,9.856870919136139,0.0,9.856870919136139
NGLU,C,0.6071519613409466,8.652233231997496,0.0,0.0,8.652233231997496,0.0,8.652233231997496
NGLU,HB,0.061300556456253256,1.144481244118969,0.0,0.0,1.144481244118969,0.0,1.144481244118969
NGLU,HB1,0.061300556456253256,1.144481244118969,0.0,0.0,1.144481244118969,0.0,1.144481244118969
NGLU,1HB,0.061300556456253256,1.144481244118969,0.0,0.0,1.144481244118969,0.0,1.144481244118969
NGLU,HB2,0.061300556456253256,1.144481244118969,0.0,0.0,1.144481244118969,0.0,1.144481244118969
NGLU,2HB,0.061300556456253256,1.144481244118969,0.0,0.0,1.144481244118969,0.0,1.144481244118969
NGLU,HB3,0.061300556456253256,1.144481244118969,0.0,0.0,1.144481244118969,0.0,1.144481244118969
NGLU,3HB,0.061300556456253256,1.144481244118969,0.0,0.0,1.144481244118969,0.0,1.144481244118969
NGLU,CG,-0.2944099289413957,11.523620060980178,0.0,0.0,11.523620060980178,0.0,11.523620060980178
NGLU,O,-0.4703995288549457,5.581032233428631,0.0,0.0,5.581032233428631,0.0,5.581032233428631
NGLU,HG,0.0593097198611532,1.492715462406513,0.0,0.0,1.492715462406513,0.0,1.492715462406513
NGLU,1HG,0.0593097198611532,1.492715462406513,0.0,0.0,1.492715462406513,0.0,1.492715462406513
NGLU,HG1,0.0593097198611532,1.492715462406513,0.0,0.0,1.492715462406513,0.0,1.492715462406513
NGLU,HG2,0.0593097198611532,1.492715462406513,0.0,0.0,1.492715462406513,0.0,1.492715462406513
NGLU,2HG,0.0593097198611532,1.492715462406513,0.0,0.0,1.492715462406513,0.0,1.492715462406513
NGLU,HG3,0.0593097198611532,1.492715462406513,0.0,0.0,1.492715462406513,0.0,1.492715462406513
NGLU,3HG,0.0593097198611532,1.492715462406513,0.0,0.0,1.492715462406513,0.0,1.492715462406513
NGLU,CD,0.8540314107616603,11.089523324852548,0.0,0.0,11.089523324852548,0.0,11.089523324852548
NGLU,OE,-0.7457141881294778,6.933689533429087,0.0,0.0,6.933689533429087,0.0,6.933689533429087
NGLU,OE1,-0.7457141881294778,6.933689533429087,0.0,0.0,6.933689533429087,0.0,6.933689533429087
NGLU,OE2,-0.7457141881294778,6.933689533429087,0.0,0.0,6.933689533429087,0.0,6.933689533429087
NGLY,HN,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,H1,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,1H,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,HN1,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,HT1,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,H2,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,2H,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,HN2,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,HT2,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,H3,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,3H,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,HN3,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,HT3,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,H,0.36290247322686486,1.3172299052183511,0.0,0.0,1.3172299052183511,0.0,1.3172299052183511
NGLY,N,-0.43855248554034143,5.1302863358250645,0.0,0.0,5.1302863358250645,0.0,5.1302863358250645
NGLY,CA,-0.29032411153065274,7.360813337627491,0.0,0.0,7.360813337627491,0.0,7.360813337627491
NGLY,C,0.7510074716110559,8.0892285633999,0.0,0.0,8.0892285633999,0.0,8.0892285633999
NGLY,HA,0.19629778191806316,1.834433508410621,0.0,0.0,1.834433508410621,0.0,1.834433508410621
NGLY,HA2,0.19629778191806316,1.834433508410621,0.0,0.0,1.834433508410621,0.0,1.834433508410621
NGLY,1HA,0.19629778191806316,1.834433508410621,0.0,0.0,1.834433508410621,0.0,1.834433508410621
NGLY,HA1,0.19629778191806316,1.834433508410621,0.0,0.0,1.834433508410621,0.0,1.834433508410621
NGLY,HA3,0.19629778191806316,1.834433508410621,0.0,0.0,1.834433508410621,0.0,1.834433508410621
NGLY,2HA,0.19629778191806316,1.834433508410621,0.0,0.0,1.834433508410621,0.0,1.834433508410621
NGLY,O,-0.5034338580567825,5.619810520349156,0.0,0.0,5.619810520349156,0.0,5.619810520349156
NHID,HN,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,HN,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,H1,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,H1,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,1H,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,1H,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,HN1,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,HN1,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,HT1,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,HT1,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,H2,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,H2,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,2H,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,2H,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,HN2,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,HN2,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,HT2,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,HT2,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,H3,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,H3,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,3H,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,3H,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,HN3,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,HN3,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,HT3,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,HT3,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,H,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHSD,H,0.37197547573835527,0.8449323817951317,0.0,0.0,0.8449323817951317,0.0,0.8449323817951317
NHID,N,-0.5530931434651376,5.573004720547466,0.0,0.0,5.573004720547466,0.0,5.573004720547466
NHSD,N,-0.5530931434651376,5.573004720547466,0.0,0.0,5.573004720547466,0.0,5.573004720547466
NHID,CA,-0.16159428348065588,7.911096610744266,0.0,0.0,7.911096610744266,0.0,7.911096610744266
NHSD,CA,-0.16159428348065588,7.911096610744266,0.0,0.0,7.911096610744266,0.0,7.911096610744266
NHID,HA,0.20143637641632892,1.5438154765151222,0.0,0.0,1.5438154765151222,0.0,1.5438154765151222
NHSD,HA,0.20143637641632892,1.5438154765151222,0.0,0.0,1.5438154765151222,0.0,1.5438154765151222
NHID,CB,-0.3504272346545941,8.089936411654737,0.0,0.0,8.089936411654737,0.0,8.089936411654737
NHSD,CB,-0.3504272346545941,8.089936411654737,0.0,0.0,8.089936411654737,0.0,8.089936411654737
NHID,C,0.73344824895602,7.748008827380607,0.0,0.0,7.748008827380607,0.0,7.748008827380607
NHSD,C,0.73344824895602,7.748008827380607,0.0,0.0,7.748008827380607,0.0,7.748008827380607
NHID,HB,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHSD,HB,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHID,HB1,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHSD,HB1,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHID,1HB,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHSD,1HB,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHID,HB2,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHSD,HB2,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHID,2HB,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHSD,2HB,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHID,HB3,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHSD,HB3,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHID,3HB,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHSD,3HB,0.18976443060957632,1.556690748101377,0.0,0.0,1.556690748101377,0.0,1.556690748101377
NHID,CG,0.051536628039920984,8.75850178557154,0.0,0.0,8.75850178557154,0.0,8.75850178557154
NHSD,CG,0.051536628039920984,8.75850178557154,0.0,0.0,8.75850178557154,0.0,8.75850178557154
NHID,O,-0.4891933399027854,5.204493202819282,0.0,0.0,5.204493202819282,0.0,5.204493202819282
NHSD,O,-0.4891933399027854,5.204493202819282,0.0,0.0,5.204493202819282,0.0,5.204493202819282
NHID,ND,-0.3067568614535111,6.595829649217609,0.0,0.0,6.595829649217609,0.0,6.595829649217609
NHSD,ND,-0.3067568614535111,6.595829649217609,0.0,0.0,6.595829649217609,0.0,6.595829649217609
NHID,ND1,-0.3067568614535111,6.595829649217609,0.0,0.0,6.595829649217609,0.0,6.595829649217609
NHSD,ND1,-0.3067568614535111,6.595829649217609,0.0,0.0,6.595829649217609,0.0,6.595829649217609
NHID,CD,0.07637670871995028,8.19899937369306,0.0,0.0,8.19899937369306,0.0,8.19899937369306
NHSD,CD,0.07637670871995028,8.19899937369306,0.0,0.0,8.19899937369306,0.0,8.19899937369306
NHID,CD1,0.07637670871995028,8.19899937369306,0.0,0.0,8.19899937369306,0.0,8.19899937369306
NHSD,CD1,0.07637670871995028,8.19899937369306,0.0,0.0,8.19899937369306,0.0,8.19899937369306
NHID,CD2,0.07637670871995028,8.19899937369306,0.0,0.0,8.19899937369306,0.0,8.19899937369306
NHSD,CD2,0.07637670871995028,8.19899937369306,0.0,0.0,8.19899937369306,0.0,8.19899937369306
NHID,HD1,0.31222633752356094,1.398638898154765,0.0,0.0,1.398638898154765,0.0,1.398638898154765
NHSD,HD1,0.31222633752356094,1.398638898154765,0.0,0.0,1.398638898154765,0.0,1.398638898154765
NHID,CE,0.17473787296522678,7.889538761714707,0.0,0.0,7.889538761714707,0.0,7.889538761714707
NHSD,CE,0.17473787296522678,7.889538761714707,0.0,0.0,7.889538761714707,0.0,7.889538761714707
NHID,CE1,0.17473787296522678,7.889538761714707,0.0,0.0,7.889538761714707,0.0,7.889538761714707
NHSD,CE1,0.17473787296522678,7.889538761714707,0.0,0.0,7.889538761714707,0.0,7.889538761714707
NHID,CE2,0.17473787296522678,7.889538761714707,0.0,0.0,7.889538761714707,0.0,7.889538761714707
NHSD,CE2,0.17473787296522678,7.889538761714707,0.0,0.0,7.889538761714707,0.0,7.889538761714707
NHID,NE,-0.4578425180654395,7.2851895587466995,0.0,0.0,7.2851895587466995,0.0,7.2851895587466995
NHSD,NE,-0.4578425180654395,7.2851895587466995,0.0,0.0,7.2851895587466995,0.0,7.2851895587466995
NHID,NE2,-0.4578425180654395,7.2851895587466995,0.0,0.0,7.2851895587466995,0.0,7.2851895587466995
NHSD,NE2,-0.4578425180654395,7.2851895587466995,0.0,0.0,7.2851895587466995,0.0,7.2851895587466995
NHID,HD2,0.12298900033010865,1.8258226075676476,0.0,0.0,1.8258226075676476,0.0,1.8258226075676476
NHSD,HD2,0.12298900033010865,1.8258226075676476,0.0,0.0,1.8258226075676476,0.0,1.8258226075676476
NHID,HE,0.150700919636789,1.9577655697089356,0.0,0.0,1.9577655697089356,0.0,1.9577655697089356
NHSD,HE,0.150700919636789,1.9577655697089356,0.0,0.0,1.9577655697089356,0.0,1.9577655697089356
NHID,HE1,0.150700919636789,1.9577655697089356,0.0,0.0,1.9577655697089356,0.0,1.9577655697089356
NHSD,HE1,0.150700919636789,1.9577655697089356,0.0,0.0,1.9577655697089356,0.0,1.9577655697089356
NHID,HE2,0.150700919636789,1.9577655697089356,0.0,0.0,1.9577655697089356,0.0,1.9577655697089356
NHSD,HE2,0.150700919636789,1.9577655697089356,0.0,0.0,1.9577655697089356,0.0,1.9577655697089356
NHIE,HN,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,HN,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,H1,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,H1,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,1H,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,1H,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,HN1,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,HN1,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,HT1,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,HT1,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,H2,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,H2,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,2H,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,2H,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,HN2,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,HN2,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,HT2,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,HT2,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,H3,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,H3,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,3H,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,3H,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,HN3,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,HN3,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,HT3,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,HT3,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,H,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHSE,H,0.38553954377812844,0.8360222686755647,0.0,0.0,0.8360222686755647,0.0,0.8360222686755647
NHIE,N,-0.6164195966579269,5.570105571876295,0.0,0.0,5.570105571876295,0.0,5.570105571876295
NHSE,N,-0.6164195966579269,5.570105571876295,0.0,0.0,5.570105571876295,0.0,5.570105571876295
NHIE,CA,-0.14378769917765138,7.937069149036641,0.0,0.0,7.937069149036641,0.0,7.937069149036641
NHSE,CA,-0.14378769917765138,7.937069149036641,0.0,0.0,7.937069149036641,0.0,7.937069149036641
NHIE,HA,0.19583936333446236,1.5719929012047729,0.0,0.0,1.5719929012047729,0.0,1.5719929012047729
NHSE,HA,0.19583936333446236,1.5719929012047729,0.0,0.0,1.5719929012047729,0.0,1.5719929012047729
NHIE,CB,-0.30144442651525777,8.013864018381756,0.0,0.0,8.013864018381756,0.0,8.013864018381756
NHSE,CB,-0.30144442651525777,8.013864018381756,0.0,0.0,8.013864018381756,0.0,8.013864018381756
NHIE,C,0.7053027470800681,7.818227548526499,0.0,0.0,7.818227548526499,0.0,7.818227548526499
NHSE,C,0.7053027470800681,7.818227548526499,0.0,0.0,7.818227548526499,0.0,7.818227548526499
NHIE,HB,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHSE,HB,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHIE,HB1,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHSE,HB1,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHIE,1HB,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHSE,1HB,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHIE,HB2,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHSE,HB2,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHIE,2HB,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHSE,2HB,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHIE,HB3,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHSE,HB3,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHIE,3HB,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHSE,3HB,0.1636551878869008,1.5470822625364316,0.0,0.0,1.5470822625364316,0.0,1.5470822625364316
NHIE,CG,0.34376975909479046,8.583133756486792,0.0,0.0,8.583133756486792,0.0,8.583133756486792
NHSE,CG,0.34376975909479046,8.583133756486792,0.0,0.0,8.583133756486792,0.0,8.583133756486792
NHIE,O,-0.4847711633261909,5.277809729770526,0.0,0.0,5.277809729770526,0.0,5.277809729770526
NHSE,O,-0.4847711633261909,5.277809729770526,0.0,0.0,5.277809729770526,0.0,5.277809729770526
NHIE,ND,-0.4855013922524004,7.287763074298553,0.0,0.0,7.287763074298553,0.0,7.287763074298553
NHSE,ND,-0.4855013922524004,7.287763074298553,0.0,0.0,7.287763074298553,0.0,7.287763074298553
NHIE,ND1,-0.4855013922524004,7.287763074298553,0.0,0.0,7.287763074298553,0.0,7.287763074298553
NHSE,ND1,-0.4855013922524004,7.287763074298553,0.0,0.0,7.287763074298553,0.0,7.287763074298553
NHIE,CD,-0.2974583101276805,8.354087497756911,0.0,0.0,8.354087497756911,0.0,8.354087497756911
NHSE,CD,-0.2974583101276805,8.354087497756911,0.0,0.0,8.354087497756911,0.0,8.354087497756911
NHIE,CD1,-0.2974583101276805,8.354087497756911,0.0,0.0,8.354087497756911,0.0,8.354087497756911
NHSE,CD1,-0.2974583101276805,8.354087497756911,0.0,0.0,8.354087497756911,0.0,8.354087497756911
NHIE,CD2,-0.2974583101276805,8.354087497756911,0.0,0.0,8.354087497756911,0.0,8.354087497756911
NHSE,CD2,-0.2974583101276805,8.354087497756911,0.0,0.0,8.354087497756911,0.0,8.354087497756911
NHIE,CE,0.11865205720290806,7.804187620403181,0.0,0.0,7.804187620403181,0.0,7.804187620403181
NHSE,CE,0.11865205720290806,7.804187620403181,0.0,0.0,7.804187620403181,0.0,7.804187620403181
NHIE,CE1,0.11865205720290806,7.804187620403181,0.0,0.0,7.804187620403181,0.0,7.804187620403181
NHSE,CE1,0.11865205720290806,7.804187620403181,0.0,0.0,7.804187620403181,0.0,7.804187620403181
NHIE,CE2,0.11865205720290806,7.804187620403181,0.0,0.0,7.804187620403181,0.0,7.804187620403181
NHSE,CE2,0.11865205720290806,7.804187620403181,0.0,0.0,7.804187620403181,0.0,7.804187620403181
NHIE,NE,-0.2041378438156464,6.402037102354679,0.0,0.0,6.402037102354679,0.0,6.402037102354679
NHSE,NE,-0.2041378438156464,6.402037102354679,0.0,0.0,6.402037102354679,0.0,6.402037102354679
NHIE,NE2,-0.2041378438156464,6.402037102354679,0.0,0.0,6.402037102354679,0.0,6.402037102354679
NHSE,NE2,-0.2041378438156464,6.402037102354679,0.0,0.0,6.402037102354679,0.0,6.402037102354679
NHIE,HD,0.18899691512895808,1.8708028085889263,0.0,0.0,1.8708028085889263,0.0,1.8708028085889263
NHSE,HD,0.18899691512895808,1.8708028085889263,0.0,0.0,1.8708028085889263,0.0,1.8708028085889263
NHIE,HD1,0.18899691512895808,1.8708028085889263,0.0,0.0,1.8708028085889263,0.0,1.8708028085889263
NHSE,HD1,0.18899691512895808,1.8708028085889263,0.0,0.0,1.8708028085889263,0.0,1.8708028085889263
NHIE,HD2,0.18899691512895808,1.8708028085889263,0.0,0.0,1.8708028085889263,0.0,1.8708028085889263
NHSE,HD2,0.18899691512895808,1.8708028085889263,0.0,0.0,1.8708028085889263,0.0,1.8708028085889263
NHIE,HE1,0.16349969245831564,1.9704633287985798,0.0,0.0,1.9704633287985798,0.0,1.9704633287985798
NHSE,HE1,0.16349969245831564,1.9704633287985798,0.0,0.0,1.9704633287985798,0.0,1.9704633287985798
NHIE,HE2,0.33353089046506434,1.5601958209747595,0.0,0.0,1.5601958209747595,0.0,1.5601958209747595
NHSE,HE2,0.33353089046506434,1.5601958209747595,0.0,0.0,1.5601958209747595,0.0,1.5601958209747595
NHIE,HNE2,0.33353089046506434,1.5601958209747595,0.0,0.0,1.5601958209747595,0.0,1.5601958209747595
NHSE,HNE2,0.33353089046506434,1.5601958209747595,0.0,0.0,1.5601958209747595,0.0,1.5601958209747595
NHIS,HN,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,HN,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,HN,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,H1,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,H1,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,H1,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,1H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,1H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,1H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,HN1,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,HN1,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,HN1,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,HT1,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,HT1,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,HT1,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,H2,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,H2,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,H2,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,2H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,2H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,2H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,HN2,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,HN2,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,HN2,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,HT2,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,HT2,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,HT2,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,H3,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,H3,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,H3,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,3H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,3H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,3H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,HN3,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,HN3,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,HN3,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,HT3,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,HT3,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,HT3,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIP,H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHSP,H,0.39727970035703897,0.9424398663895053,0.0,0.0,0.9424398663895053,0.0,0.9424398663895053
NHIS,N,-0.5652694562880552,5.246832228717446,0.0,0.0,5.246832228717446,0.0,5.246832228717446
NHIP,N,-0.5652694562880552,5.246832228717446,0.0,0.0,5.246832228717446,0.0,5.246832228717446
NHSP,N,-0.5652694562880552,5.246832228717446,0.0,0.0,5.246832228717446,0.0,5.246832228717446
NHIS,CA,-0.2696963213298237,7.566275586025449,0.0,0.0,7.566275586025449,0.0,7.566275586025449
NHIP,CA,-0.2696963213298237,7.566275586025449,0.0,0.0,7.566275586025449,0.0,7.566275586025449
NHSP,CA,-0.2696963213298237,7.566275586025449,0.0,0.0,7.566275586025449,0.0,7.566275586025449
NHIS,HA,0.25037584166407195,1.5856113744725329,0.0,0.0,1.5856113744725329,0.0,1.5856113744725329
NHIP,HA,0.25037584166407195,1.5856113744725329,0.0,0.0,1.5856113744725329,0.0,1.5856113744725329
NHSP,HA,0.25037584166407195,1.5856113744725329,0.0,0.0,1.5856113744725329,0.0,1.5856113744725329
NHIS,CB,-0.37234182290022994,7.471811001411317,0.0,0.0,7.471811001411317,0.0,7.471811001411317
NHIP,CB,-0.37234182290022994,7.471811001411317,0.0,0.0,7.471811001411317,0.0,7.471811001411317
NHSP,CB,-0.37234182290022994,7.471811001411317,0.0,0.0,7.471811001411317,0.0,7.471811001411317
NHIS,C,0.842866649339122,7.833449854848558,0.0,0.0,7.833449854848558,0.0,7.833449854848558
NHIP,C,0.842866649339122,7.833449854848558,0.0,0.0,7.833449854848558,0.0,7.833449854848558
NHSP,C,0.842866649339122,7.833449854848558,0.0,0.0,7.833449854848558,0.0,7.833449854848558
NHIS,HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIP,HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHSP,HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIS,HB1,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIP,HB1,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHSP,HB1,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIS,1HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIP,1HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHSP,1HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIS,HB2,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIP,HB2,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHSP,HB2,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIS,2HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIP,2HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHSP,2HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIS,HB3,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIP,HB3,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHSP,HB3,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIS,3HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIP,3HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHSP,3HB,0.24200175416954792,1.5526754909496319,0.0,0.0,1.5526754909496319,0.0,1.5526754909496319
NHIS,CG,0.08366192661703496,7.735389704773545,0.0,0.0,7.735389704773545,0.0,7.735389704773545
NHIP,CG,0.08366192661703496,7.735389704773545,0.0,0.0,7.735389704773545,0.0,7.735389704773545
NHSP,CG,0.08366192661703496,7.735389704773545,0.0,0.0,7.735389704773545,0.0,7.735389704773545
NHIS,O,-0.5067834288602188,5.237897058246969,0.0,0.0,5.237897058246969,0.0,5.237897058246969
NHIP,O,-0.5067834288602188,5.237897058246969,0.0,0.0,5.237897058246969,0.0,5.237897058246969
NHSP,O,-0.5067834288602188,5.237897058246969,0.0,0.0,5.237897058246969,0.0,5.237897058246969
NHIS,ND,-0.17654680620531443,5.865012900504771,0.0,0.0,5.865012900504771,0.0,5.865012900504771
NHIP,ND,-0.17654680620531443,5.865012900504771,0.0,0.0,5.865012900504771,0.0,5.865012900504771
NHSP,ND,-0.17654680620531443,5.865012900504771,0.0,0.0,5.865012900504771,0.0,5.865012900504771
NHIS,ND1,-0.17654680620531443,5.865012900504771,0.0,0.0,5.865012900504771,0.0,5.865012900504771
NHIP,ND1,-0.17654680620531443,5.865012900504771,0.0,0.0,5.865012900504771,0.0,5.865012900504771
NHSP,ND1,-0.17654680620531443,5.865012900504771,0.0,0.0,5.865012900504771,0.0,5.865012900504771
NHIS,CD,-0.06560997406221736,7.360578400093457,0.0,0.0,7.360578400093457,0.0,7.360578400093457
NHIP,CD,-0.06560997406221736,7.360578400093457,0.0,0.0,7.360578400093457,0.0,7.360578400093457
NHSP,CD,-0.06560997406221736,7.360578400093457,0.0,0.0,7.360578400093457,0.0,7.360578400093457
NHIS,CD1,-0.06560997406221736,7.360578400093457,0.0,0.0,7.360578400093457,0.0,7.360578400093457
NHIP,CD1,-0.06560997406221736,7.360578400093457,0.0,0.0,7.360578400093457,0.0,7.360578400093457
NHSP,CD1,-0.06560997406221736,7.360578400093457,0.0,0.0,7.360578400093457,0.0,7.360578400093457
NHIS,CD2,-0.06560997406221736,7.360578400093457,0.0,0.0,7.360578400093457,0.0,7.360578400093457
NHIP,CD2,-0.06560997406221736,7.360578400093457,0.0,0.0,7.360578400093457,0.0,7.360578400093457
NHSP,CD2,-0.06560997406221736,7.360578400093457,0.0,0.0,7.360578400093457,0.0,7.360578400093457
NHIS,HD1,0.35516440113633657,1.212373558216861,0.0,0.0,1.212373558216861,0.0,1.212373558216861
NHIP,HD1,0.35516440113633657,1.212373558216861,0.0,0.0,1.212373558216861,0.0,1.212373558216861
NHSP,HD1,0.35516440113633657,1.212373558216861,0.0,0.0,1.212373558216861,0.0,1.212373558216861
NHIS,CE,0.06166073674036107,6.890574816631042,0.0,0.0,6.890574816631042,0.0,6.890574816631042
NHIP,CE,0.06166073674036107,6.890574816631042,0.0,0.0,6.890574816631042,0.0,6.890574816631042
NHSP,CE,0.06166073674036107,6.890574816631042,0.0,0.0,6.890574816631042,0.0,6.890574816631042
NHIS,CE1,0.06166073674036107,6.890574816631042,0.0,0.0,6.890574816631042,0.0,6.890574816631042
NHIP,CE1,0.06166073674036107,6.890574816631042,0.0,0.0,6.890574816631042,0.0,6.890574816631042
NHSP,CE1,0.06166073674036107,6.890574816631042,0.0,0.0,6.890574816631042,0.0,6.890574816631042
NHIS,CE2,0.06166073674036107,6.890574816631042,0.0,0.0,6.890574816631042,0.0,6.890574816631042
NHIP,CE2,0.06166073674036107,6.890574816631042,0.0,0.0,6.890574816631042,0.0,6.890574816631042
NHSP,CE2,0.06166073674036107,6.890574816631042,0.0,0.0,6.890574816631042,0.0,6.890574816631042
NHIS,NE,-0.18372477783593832,5.679508310661012,0.0,0.0,5.679508310661012,0.0,5.679508310661012
NHIP,NE,-0.18372477783593832,5.679508310661012,0.0,0.0,5.679508310661012,0.0,5.679508310661012
NHSP,NE,-0.18372477783593832,5.679508310661012,0.0,0.0,5.679508310661012,0.0,5.679508310661012
NHIS,NE2,-0.18372477783593832,5.679508310661012,0.0,0.0,5.679508310661012,0.0,5.679508310661012
NHIP,NE2,-0.18372477783593832,5.679508310661012,0.0,0.0,5.679508310661012,0.0,5.679508310661012
NHSP,NE2,-0.18372477783593832,5.679508310661012,0.0,0.0,5.679508310661012,0.0,5.679508310661012
NHIS,HD2,0.2205226884783616,1.6826683376734204,0.0,0.0,1.6826683376734204,0.0,1.6826683376734204
NHIP,HD2,0.2205226884783616,1.6826683376734204,0.0,0.0,1.6826683376734204,0.0,1.6826683376734204
NHSP,HD2,0.2205226884783616,1.6826683376734204,0.0,0.0,1.6826683376734204,0.0,1.6826683376734204
NHIS,HE1,0.24963364345697409,1.7816563347817238,0.0,0.0,1.7816563347817238,0.0,1.7816563347817238
NHIP,HE1,0.24963364345697409,1.7816563347817238,0.0,0.0,1.7816563347817238,0.0,1.7816563347817238
NHSP,HE1,0.24963364345697409,1.7816563347817238,0.0,0.0,1.7816563347817238,0.0,1.7816563347817238
NHIS,HE2,0.400244090639323,1.3562282011050095,0.0,0.0,1.3562282011050095,0.0,1.3562282011050095
NHIP,HE2,0.400244090639323,1.3562282011050095,0.0,0.0,1.3562282011050095,0.0,1.3562282011050095
NHSP,HE2,0.400244090639323,1.3562282011050095,0.0,0.0,1.3562282011050095,0.0,1.3562282011050095
NHIS,HNE2,0.400244090639323,1.3562282011050095,0.0,0.0,1.3562282011050095,0.0,1.3562282011050095
NHIP,HNE2,0.400244090639323,1.3562282011050095,0.0,0.0,1.3562282011050095,0.0,1.3562282011050095
NHSP,HNE2,0.400244090639323,1.3562282011050095,0.0,0.0,1.3562282011050095,0.0,1.3562282011050095
NILE,HN,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,H1,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,1H,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,HN1,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,HT1,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,H2,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,2H,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,HN2,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,HT2,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,H3,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,3H,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,HN3,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,HT3,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,H,0.3761663855122808,1.0189346219418378,0.0,0.0,1.0189346219418378,0.0,1.0189346219418378
NILE,N,-0.5647329488317074,5.289130492213063,0.0,0.0,5.289130492213063,0.0,5.289130492213063
NILE,CA,-0.29904809323382947,7.979660839783357,0.0,0.0,7.979660839783357,0.0,7.979660839783357
NILE,HA,0.2105298318233619,1.685384606094128,0.0,0.0,1.685384606094128,0.0,1.685384606094128
NILE,CB,0.021243019173953288,7.608105676771435,0.0,0.0,7.608105676771435,0.0,7.608105676771435
NILE,C,0.7616536177426335,8.035935049676807,0.0,0.0,8.035935049676807,0.0,8.035935049676807
NILE,HB,0.09241368304962991,1.7600114402466802,0.0,0.0,1.7600114402466802,0.0,1.7600114402466802
NILE,HB1,0.09241368304962991,1.7600114402466802,0.0,0.0,1.7600114402466802,0.0,1.7600114402466802
NILE,1HB,0.09241368304962991,1.7600114402466802,0.0,0.0,1.7600114402466802,0.0,1.7600114402466802
NILE,HB2,0.09241368304962991,1.7600114402466802,0.0,0.0,1.7600114402466802,0.0,1.7600114402466802
NILE,2HB,0.09241368304962991,1.7600114402466802,0.0,0.0,1.7600114402466802,0.0,1.7600114402466802
NILE,HB3,0.09241368304962991,1.7600114402466802,0.0,0.0,1.7600114402466802,0.0,1.7600114402466802
NILE,3HB,0.09241368304962991,1.7600114402466802,0.0,0.0,1.7600114402466802,0.0,1.7600114402466802
NILE,CG2,-0.3738034028654932,7.028484577233407,0.0,0.0,7.028484577233407,0.0,7.028484577233407
NILE,CG1,-0.040087358032711545,7.456073336612947,0.0,0.0,7.456073336612947,0.0,7.456073336612947
NILE,O,-0.502047642175838,5.511546061752628,0.0,0.0,5.511546061752628,0.0,5.511546061752628
NILE,HG2,0.13800944970516588,1.6734968999454192,0.0,0.0,1.6734968999454192,0.0,1.6734968999454192
NILE,HG21,0.13800944970516588,1.6734968999454192,0.0,0.0,1.6734968999454192,0.0,1.6734968999454192
NILE,1HG2,0.13800944970516588,1.6734968999454192,0.0,0.0,1.6734968999454192,0.0,1.6734968999454192
NILE,HG21,0.13800944970516588,1.6734968999454192,0.0,0.0,1.6734968999454192,0.0,1.6734968999454192
NILE,HG22,0.13800944970516588,1.6734968999454192,0.0,0.0,1.6734968999454192,0.0,1.6734968999454192
NILE,2HG2,0.13800944970516588,1.6734968999454192,0.0,0.0,1.6734968999454192,0.0,1.6734968999454192
NILE,HG23,0.13800944970516588,1.6734968999454192,0.0,0.0,1.6734968999454192,0.0,1.6734968999454192
NILE,3HG2,0.13800944970516588,1.6734968999454192,0.0,0.0,1.6734968999454192,0.0,1.6734968999454192
NILE,HG1,0.06875769094823772,1.7527647445672483,0.0,0.0,1.7527647445672483,0.0,1.7527647445672483
NILE,HG12,0.06875769094823772,1.7527647445672483,0.0,0.0,1.7527647445672483,0.0,1.7527647445672483
NILE,1HG1,0.06875769094823772,1.7527647445672483,0.0,0.0,1.7527647445672483,0.0,1.7527647445672483
NILE,HG11,0.06875769094823772,1.7527647445672483,0.0,0.0,1.7527647445672483,0.0,1.7527647445672483
NILE,HG13,0.06875769094823772,1.7527647445672483,0.0,0.0,1.7527647445672483,0.0,1.7527647445672483
NILE,2HG1,0.06875769094823772,1.7527647445672483,0.0,0.0,1.7527647445672483,0.0,1.7527647445672483
NILE,CD,-0.34634110341888164,7.453734448681017,0.0,0.0,7.453734448681017,0.0,7.453734448681017
NILE,CD1,-0.34634110341888164,7.453734448681017,0.0,0.0,7.453734448681017,0.0,7.453734448681017
NILE,CD2,-0.34634110341888164,7.453734448681017,0.0,0.0,7.453734448681017,0.0,7.453734448681017
NILE,HD,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NILE,HD11,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NILE,1HD1,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NILE,HD12,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NILE,2HD1,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NILE,HD13,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NILE,3HD1,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NILE,HD1,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NILE,HD2,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NILE,HD3,0.12005916974002247,1.7130704721019223,0.0,0.0,1.7130704721019223,0.0,1.7130704721019223
NLEU,HN,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,H1,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,1H,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,HN1,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,HT1,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,H2,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,2H,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,HN2,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,HT2,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,H3,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,3H,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,HN3,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,HT3,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,H,0.39401334967295143,1.1008605084806353,0.0,0.0,1.1008605084806353,0.0,1.1008605084806353
NLEU,N,-0.633901543955661,5.2211507345061285,0.0,0.0,5.2211507345061285,0.0,5.2211507345061285
NLEU,CA,-0.13542923789751288,7.941628588100223,0.0,0.0,7.941628588100223,0.0,7.941628588100223
NLEU,HA,0.17167625320915605,1.6601402407158938,0.0,0.0,1.6601402407158938,0.0,1.6601402407158938
NLEU,CB,-0.3674023238430405,7.6485579610190495,0.0,0.0,7.6485579610190495,0.0,7.6485579610190495
NLEU,C,0.7318057469671352,8.271855118403126,0.0,0.0,8.271855118403126,0.0,8.271855118403126
NLEU,HB,0.14608149234715956,1.6732665388738157,0.0,0.0,1.6732665388738157,0.0,1.6732665388738157
NLEU,HB1,0.14608149234715956,1.6732665388738157,0.0,0.0,1.6732665388738157,0.0,1.6732665388738157
NLEU,1HB,0.14608149234715956,1.6732665388738157,0.0,0.0,1.6732665388738157,0.0,1.6732665388738157
NLEU,HB2,0.14608149234715956,1.6732665388738157,0.0,0.0,1.6732665388738157,0.0,1.6732665388738157
NLEU,2HB,0.14608149234715956,1.6732665388738157,0.0,0.0,1.6732665388738157,0.0,1.6732665388738157
NLEU,HB3,0.14608149234715956,1.6732665388738157,0.0,0.0,1.6732665388738157,0.0,1.6732665388738157
NLEU,3HB,0.14608149234715956,1.6732665388738157,0.0,0.0,1.6732665388738157,0.0,1.6732665388738157
NLEU,CG,0.3605852341542534,7.544408878144434,0.0,0.0,7.544408878144434,0.0,7.544408878144434
NLEU,O,-0.4946892962662053,5.543621443817212,0.0,0.0,5.543621443817212,0.0,5.543621443817212
NLEU,HG,-0.03014766988732563,1.9767478904361921,0.0,0.0,1.9767478904361921,0.0,1.9767478904361921
NLEU,1HG,-0.03014766988732563,1.9767478904361921,0.0,0.0,1.9767478904361921,0.0,1.9767478904361921
NLEU,HG1,-0.03014766988732563,1.9767478904361921,0.0,0.0,1.9767478904361921,0.0,1.9767478904361921
NLEU,HG2,-0.03014766988732563,1.9767478904361921,0.0,0.0,1.9767478904361921,0.0,1.9767478904361921
NLEU,2HG,-0.03014766988732563,1.9767478904361921,0.0,0.0,1.9767478904361921,0.0,1.9767478904361921
NLEU,HG3,-0.03014766988732563,1.9767478904361921,0.0,0.0,1.9767478904361921,0.0,1.9767478904361921
NLEU,3HG,-0.03014766988732563,1.9767478904361921,0.0,0.0,1.9767478904361921,0.0,1.9767478904361921
NLEU,CD,-0.36557668914945296,7.367524981851438,0.0,0.0,7.367524981851438,0.0,7.367524981851438
NLEU,CD1,-0.36557668914945296,7.367524981851438,0.0,0.0,7.367524981851438,0.0,7.367524981851438
NLEU,CD2,-0.36557668914945296,7.367524981851438,0.0,0.0,7.367524981851438,0.0,7.367524981851438
NLEU,HD,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,HD11,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,1HD1,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,HD12,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,2HD1,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,HD13,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,3HD1,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,HD21,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,1HD2,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,HD22,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,2HD2,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,HD23,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLEU,3HD2,0.10907553035082214,1.6159055626718253,0.0,0.0,1.6159055626718253,0.0,1.6159055626718253
NLYS,HN,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,H1,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,1H,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,HN1,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,HT1,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,H2,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,2H,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,HN2,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,HT2,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,H3,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,3H,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,HN3,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,HT3,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,H,0.395551815271532,0.8940117773981104,0.0,0.0,0.8940117773981104,0.0,0.8940117773981104
NLYS,N,-0.593786287466966,5.111033199062776,0.0,0.0,5.111033199062776,0.0,5.111033199062776
NLYS,CA,-0.20710992280837365,7.8552401731057655,0.0,0.0,7.8552401731057655,0.0,7.8552401731057655
NLYS,HA,0.22080796520115994,1.6276188928900523,0.0,0.0,1.6276188928900523,0.0,1.6276188928900523
NLYS,CB,-0.25873220212470255,7.495771385280512,0.0,0.0,7.495771385280512,0.0,7.495771385280512
NLYS,C,0.7910336878014099,8.302720958541443,0.0,0.0,8.302720958541443,0.0,8.302720958541443
NLYS,HB,0.16727151876321636,1.452539581725275,0.0,0.0,1.452539581725275,0.0,1.452539581725275
NLYS,HB1,0.16727151876321636,1.452539581725275,0.0,0.0,1.452539581725275,0.0,1.452539581725275
NLYS,1HB,0.16727151876321636,1.452539581725275,0.0,0.0,1.452539581725275,0.0,1.452539581725275
NLYS,HB2,0.16727151876321636,1.452539581725275,0.0,0.0,1.452539581725275,0.0,1.452539581725275
NLYS,2HB,0.16727151876321636,1.452539581725275,0.0,0.0,1.452539581725275,0.0,1.452539581725275
NLYS,HB3,0.16727151876321636,1.452539581725275,0.0,0.0,1.452539581725275,0.0,1.452539581725275
NLYS,3HB,0.16727151876321636,1.452539581725275,0.0,0.0,1.452539581725275,0.0,1.452539581725275
NLYS,CG,-0.19288239782623695,7.578429033021441,0.0,0.0,7.578429033021441,0.0,7.578429033021441
NLYS,O,-0.5030634995035589,5.486229621456866,0.0,0.0,5.486229621456866,0.0,5.486229621456866
NLYS,HG,0.12619579274011491,1.5582761859391432,0.0,0.0,1.5582761859391432,0.0,1.5582761859391432
NLYS,1HG,0.12619579274011491,1.5582761859391432,0.0,0.0,1.5582761859391432,0.0,1.5582761859391432
NLYS,HG1,0.12619579274011491,1.5582761859391432,0.0,0.0,1.5582761859391432,0.0,1.5582761859391432
NLYS,HG2,0.12619579274011491,1.5582761859391432,0.0,0.0,1.5582761859391432,0.0,1.5582761859391432
NLYS,2HG,0.12619579274011491,1.5582761859391432,0.0,0.0,1.5582761859391432,0.0,1.5582761859391432
NLYS,HG3,0.12619579274011491,1.5582761859391432,0.0,0.0,1.5582761859391432,0.0,1.5582761859391432
NLYS,3HG,0.12619579274011491,1.5582761859391432,0.0,0.0,1.5582761859391432,0.0,1.5582761859391432
NLYS,CD,-0.2378206971267364,7.374720282644031,0.0,0.0,7.374720282644031,0.0,7.374720282644031
NLYS,HD,0.15018919561531752,1.5746957961118133,0.0,0.0,1.5746957961118133,0.0,1.5746957961118133
NLYS,1HD,0.15018919561531752,1.5746957961118133,0.0,0.0,1.5746957961118133,0.0,1.5746957961118133
NLYS,HD1,0.15018919561531752,1.5746957961118133,0.0,0.0,1.5746957961118133,0.0,1.5746957961118133
NLYS,HD2,0.15018919561531752,1.5746957961118133,0.0,0.0,1.5746957961118133,0.0,1.5746957961118133
NLYS,2HD,0.15018919561531752,1.5746957961118133,0.0,0.0,1.5746957961118133,0.0,1.5746957961118133
NLYS,HD3,0.15018919561531752,1.5746957961118133,0.0,0.0,1.5746957961118133,0.0,1.5746957961118133
NLYS,3HD,0.15018919561531752,1.5746957961118133,0.0,0.0,1.5746957961118133,0.0,1.5746957961118133
NLYS,CE,-0.032369383490707504,6.984167944520299,0.0,0.0,6.984167944520299,0.0,6.984167944520299
NLYS,HE,0.1581861865348084,1.5144149557932307,0.0,0.0,1.5144149557932307,0.0,1.5144149557932307
NLYS,HE2,0.1581861865348084,1.5144149557932307,0.0,0.0,1.5144149557932307,0.0,1.5144149557932307
NLYS,1HE,0.1581861865348084,1.5144149557932307,0.0,0.0,1.5144149557932307,0.0,1.5144149557932307
NLYS,HE1,0.1581861865348084,1.5144149557932307,0.0,0.0,1.5144149557932307,0.0,1.5144149557932307
NLYS,HE3,0.1581861865348084,1.5144149557932307,0.0,0.0,1.5144149557932307,0.0,1.5144149557932307
NLYS,2HE,0.1581861865348084,1.5144149557932307,0.0,0.0,1.5144149557932307,0.0,1.5144149557932307
NLYS,NZ,-0.5196381997949817,5.111614909981601,0.0,0.0,5.111614909981601,0.0,5.111614909981601
NLYS,HZ,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NLYS,HZ1,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NLYS,1HZ,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NLYS,HNZ1,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NLYS,HZ2,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NLYS,2HZ,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NLYS,HNZ2,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NLYS,HZ3,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NLYS,3HZ,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NLYS,HNZ3,0.3810733680060611,0.9503492063818394,0.0,0.0,0.9503492063818394,0.0,0.9503492063818394
NMET,HN,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,H1,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,1H,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,HN1,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,HT1,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,H2,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,2H,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,HN2,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,HT2,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,H3,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,3H,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,HN3,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,HT3,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,H,0.39208237024731435,0.7800270783936829,0.0,0.0,0.7800270783936829,0.0,0.7800270783936829
NMET,N,-0.6412595616001381,5.148084860381057,0.0,0.0,5.148084860381057,0.0,5.148084860381057
NMET,CA,-0.11630635453781954,8.234826048679853,0.0,0.0,8.234826048679853,0.0,8.234826048679853
NMET,HA,0.1775174946776633,1.586572611897569,0.0,0.0,1.586572611897569,0.0,1.586572611897569
NMET,CB,-0.07042257953918374,8.22947641784056,0.0,0.0,8.22947641784056,0.0,8.22947641784056
NMET,C,0.7132878435787747,8.285922689625647,0.0,0.0,8.285922689625647,0.0,8.285922689625647
NMET,HB,0.11667317456814517,1.328222901802937,0.0,0.0,1.328222901802937,0.0,1.328222901802937
NMET,HB1,0.11667317456814517,1.328222901802937,0.0,0.0,1.328222901802937,0.0,1.328222901802937
NMET,1HB,0.11667317456814517,1.328222901802937,0.0,0.0,1.328222901802937,0.0,1.328222901802937
NMET,HB2,0.11667317456814517,1.328222901802937,0.0,0.0,1.328222901802937,0.0,1.328222901802937
NMET,2HB,0.11667317456814517,1.328222901802937,0.0,0.0,1.328222901802937,0.0,1.328222901802937
NMET,HB3,0.11667317456814517,1.328222901802937,0.0,0.0,1.328222901802937,0.0,1.328222901802937
NMET,3HB,0.11667317456814517,1.328222901802937,0.0,0.0,1.328222901802937,0.0,1.328222901802937
NMET,CG,-0.5229469585384298,9.323629177591151,0.0,0.0,9.323629177591151,0.0,9.323629177591151
NMET,O,-0.4921138661563379,5.46494856162956,0.0,0.0,5.46494856162956,0.0,5.46494856162956
NMET,HG,0.22941547923607447,1.5615613394437509,0.0,0.0,1.5615613394437509,0.0,1.5615613394437509
NMET,1HG,0.22941547923607447,1.5615613394437509,0.0,0.0,1.5615613394437509,0.0,1.5615613394437509
NMET,HG1,0.22941547923607447,1.5615613394437509,0.0,0.0,1.5615613394437509,0.0,1.5615613394437509
NMET,HG2,0.22941547923607447,1.5615613394437509,0.0,0.0,1.5615613394437509,0.0,1.5615613394437509
NMET,2HG,0.22941547923607447,1.5615613394437509,0.0,0.0,1.5615613394437509,0.0,1.5615613394437509
NMET,HG3,0.22941547923607447,1.5615613394437509,0.0,0.0,1.5615613394437509,0.0,1.5615613394437509
NMET,3HG,0.22941547923607447,1.5615613394437509,0.0,0.0,1.5615613394437509,0.0,1.5615613394437509
NMET,SD,0.0014065666501661687,18.092740066838214,0.0,0.0,18.092740066838214,0.0,18.092740066838214
NMET,CE,-0.5513171424122616,8.39722687710485,0.0,0.0,8.39722687710485,0.0,8.39722687710485
NMET,HE,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NMET,HE1,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NMET,1HE,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NMET,HE1,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NMET,HE2,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NMET,2HE,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NMET,HE2,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NMET,HE3,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NMET,3HE,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NMET,HE3,0.2112433798423948,1.5208771432592567,0.0,0.0,1.5208771432592567,0.0,1.5208771432592567
NPHE,HN,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,H1,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,1H,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,HN1,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,HT1,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,H2,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,2H,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,HN2,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,HT2,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,H3,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,3H,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,HN3,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,HT3,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,H,0.3754224289626286,0.894613608280943,0.0,0.0,0.894613608280943,0.0,0.894613608280943
NPHE,N,-0.5743507493400871,5.615632713180874,0.0,0.0,5.615632713180874,0.0,5.615632713180874
NPHE,CA,-0.1913842368136286,7.908617414029027,0.0,0.0,7.908617414029027,0.0,7.908617414029027
NPHE,HA,0.20679251113742106,1.5471150551919948,0.0,0.0,1.5471150551919948,0.0,1.5471150551919948
NPHE,CB,-0.2867405107298586,8.150373134882331,0.0,0.0,8.150373134882331,0.0,8.150373134882331
NPHE,C,0.7367254088216959,7.697567764998227,0.0,0.0,7.697567764998227,0.0,7.697567764998227
NPHE,HB,0.16033744820516582,1.584414024574628,0.0,0.0,1.584414024574628,0.0,1.584414024574628
NPHE,HB1,0.16033744820516582,1.584414024574628,0.0,0.0,1.584414024574628,0.0,1.584414024574628
NPHE,1HB,0.16033744820516582,1.584414024574628,0.0,0.0,1.584414024574628,0.0,1.584414024574628
NPHE,HB2,0.16033744820516582,1.584414024574628,0.0,0.0,1.584414024574628,0.0,1.584414024574628
NPHE,2HB,0.16033744820516582,1.584414024574628,0.0,0.0,1.584414024574628,0.0,1.584414024574628
NPHE,HB3,0.16033744820516582,1.584414024574628,0.0,0.0,1.584414024574628,0.0,1.584414024574628
NPHE,3HB,0.16033744820516582,1.584414024574628,0.0,0.0,1.584414024574628,0.0,1.584414024574628
NPHE,CG,0.1363983300495981,9.054654406988233,0.0,0.0,9.054654406988233,0.0,9.054654406988233
NPHE,O,-0.4952535575024541,5.182401910583263,0.0,0.0,5.182401910583263,0.0,5.182401910583263
NPHE,CD,-0.16852457566105108,8.718101873935314,0.0,0.0,8.718101873935314,0.0,8.718101873935314
NPHE,CD1,-0.16852457566105108,8.718101873935314,0.0,0.0,8.718101873935314,0.0,8.718101873935314
NPHE,CD2,-0.16852457566105108,8.718101873935314,0.0,0.0,8.718101873935314,0.0,8.718101873935314
NPHE,HD,0.13084553477359986,1.7530527511680312,0.0,0.0,1.7530527511680312,0.0,1.7530527511680312
NPHE,HD1,0.13084553477359986,1.7530527511680312,0.0,0.0,1.7530527511680312,0.0,1.7530527511680312
NPHE,HD2,0.13084553477359986,1.7530527511680312,0.0,0.0,1.7530527511680312,0.0,1.7530527511680312
NPHE,CE,-0.15005077906512185,8.604188699215815,0.0,0.0,8.604188699215815,0.0,8.604188699215815
NPHE,CE1,-0.15005077906512185,8.604188699215815,0.0,0.0,8.604188699215815,0.0,8.604188699215815
NPHE,CE2,-0.15005077906512185,8.604188699215815,0.0,0.0,8.604188699215815,0.0,8.604188699215815
NPHE,HE,0.162991985578095,1.9252601335112436,0.0,0.0,1.9252601335112436,0.0,1.9252601335112436
NPHE,HE1,0.162991985578095,1.9252601335112436,0.0,0.0,1.9252601335112436,0.0,1.9252601335112436
NPHE,HE2,0.162991985578095,1.9252601335112436,0.0,0.0,1.9252601335112436,0.0,1.9252601335112436
NPHE,CZ,-0.0797030552291866,8.525782539225803,0.0,0.0,8.525782539225803,0.0,8.525782539225803
NPHE,HZ,0.15004934505723866,2.139810199297917,0.0,0.0,2.139810199297917,0.0,2.139810199297917
NPRO,HN,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,H1,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,1H,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,HN1,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,HT1,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,H2,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,2H,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,HN2,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,HT2,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,H3,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,3H,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,HN3,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,HT3,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,H,0.32765795732466835,0.9386614778463149,0.0,0.0,0.9386614778463149,0.0,0.9386614778463149
NPRO,N,-0.30319974302446284,5.407334655106433,0.0,0.0,5.407334655106433,0.0,5.407334655106433
NPRO,CD,-0.04682535956671099,6.553578943145728,0.0,0.0,6.553578943145728,0.0,6.553578943145728
NPRO,CA,-0.14183676017966473,7.762524360914374,0.0,0.0,7.762524360914374,0.0,7.762524360914374
NPRO,HD,0.11892497032460318,1.546468231719592,0.0,0.0,1.546468231719592,0.0,1.546468231719592
NPRO,HD2,0.11892497032460318,1.546468231719592,0.0,0.0,1.546468231719592,0.0,1.546468231719592
NPRO,1HD,0.11892497032460318,1.546468231719592,0.0,0.0,1.546468231719592,0.0,1.546468231719592
NPRO,HD2,0.11892497032460318,1.546468231719592,0.0,0.0,1.546468231719592,0.0,1.546468231719592
NPRO,HD3,0.11892497032460318,1.546468231719592,0.0,0.0,1.546468231719592,0.0,1.546468231719592
NPRO,2HD,0.11892497032460318,1.546468231719592,0.0,0.0,1.546468231719592,0.0,1.546468231719592
NPRO,HD1,0.11892497032460318,1.546468231719592,0.0,0.0,1.546468231719592,0.0,1.546468231719592
NPRO,CG,-0.05779750793866789,6.888640441702148,0.0,0.0,6.888640441702148,0.0,6.888640441702148
NPRO,CB,-0.10368063219271755,6.898014823228747,0.0,0.0,6.898014823228747,0.0,6.898014823228747
NPRO,HA,0.1622173157726577,1.6663291395058668,0.0,0.0,1.6663291395058668,0.0,1.6663291395058668
NPRO,C,0.6804593605853198,8.305668081852286,0.0,0.0,8.305668081852286,0.0,8.305668081852286
NPRO,HG,0.0946022248110975,1.6539446152984243,0.0,0.0,1.6539446152984243,0.0,1.6539446152984243
NPRO,1HG,0.0946022248110975,1.6539446152984243,0.0,0.0,1.6539446152984243,0.0,1.6539446152984243
NPRO,HG1,0.0946022248110975,1.6539446152984243,0.0,0.0,1.6539446152984243,0.0,1.6539446152984243
NPRO,HG2,0.0946022248110975,1.6539446152984243,0.0,0.0,1.6539446152984243,0.0,1.6539446152984243
NPRO,2HG,0.0946022248110975,1.6539446152984243,0.0,0.0,1.6539446152984243,0.0,1.6539446152984243
NPRO,HG3,0.0946022248110975,1.6539446152984243,0.0,0.0,1.6539446152984243,0.0,1.6539446152984243
NPRO,3HG,0.0946022248110975,1.6539446152984243,0.0,0.0,1.6539446152984243,0.0,1.6539446152984243
NPRO,HB,0.10774749547172635,1.551564620666074,0.0,0.0,1.551564620666074,0.0,1.551564620666074
NPRO,HB1,0.10774749547172635,1.551564620666074,0.0,0.0,1.551564620666074,0.0,1.551564620666074
NPRO,1HB,0.10774749547172635,1.551564620666074,0.0,0.0,1.551564620666074,0.0,1.551564620666074
NPRO,HB2,0.10774749547172635,1.551564620666074,0.0,0.0,1.551564620666074,0.0,1.551564620666074
NPRO,2HB,0.10774749547172635,1.551564620666074,0.0,0.0,1.551564620666074,0.0,1.551564620666074
NPRO,HB3,0.10774749547172635,1.551564620666074,0.0,0.0,1.551564620666074,0.0,1.551564620666074
NPRO,3HB,0.10774749547172635,1.551564620666074,0.0,0.0,1.551564620666074,0.0,1.551564620666074
NPRO,O,-0.48720196931994453,5.087719712347991,0.0,0.0,5.087719712347991,0.0,5.087719712347991
NSER,HN,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,H1,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,1H,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,HN1,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,HT1,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,H2,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,2H,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,HN2,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,HT2,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,H3,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,3H,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,HN3,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,HT3,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,H,0.3850642172935128,1.3236633174402925,0.0,0.0,1.3236633174402925,0.0,1.3236633174402925
NSER,N,-0.5790078993961575,5.310736800316024,0.0,0.0,5.310736800316024,0.0,5.310736800316024
NSER,CA,-0.17499396416027818,7.754038788857416,0.0,0.0,7.754038788857416,0.0,7.754038788857416
NSER,HA,0.2053921271745396,1.8212405144659753,0.0,0.0,1.8212405144659753,0.0,1.8212405144659753
NSER,CB,0.07348684266252277,6.99640327470633,0.0,0.0,6.99640327470633,0.0,6.99640327470633
NSER,C,0.7429461215380725,8.193152914677414,0.0,0.0,8.193152914677414,0.0,8.193152914677414
NSER,HB,0.0853170121261729,1.8857208505995249,0.0,0.0,1.8857208505995249,0.0,1.8857208505995249
NSER,HB1,0.0853170121261729,1.8857208505995249,0.0,0.0,1.8857208505995249,0.0,1.8857208505995249
NSER,1HB,0.0853170121261729,1.8857208505995249,0.0,0.0,1.8857208505995249,0.0,1.8857208505995249
NSER,HB2,0.0853170121261729,1.8857208505995249,0.0,0.0,1.8857208505995249,0.0,1.8857208505995249
NSER,2HB,0.0853170121261729,1.8857208505995249,0.0,0.0,1.8857208505995249,0.0,1.8857208505995249
NSER,HB3,0.0853170121261729,1.8857208505995249,0.0,0.0,1.8857208505995249,0.0,1.8857208505995249
NSER,3HB,0.0853170121261729,1.8857208505995249,0.0,0.0,1.8857208505995249,0.0,1.8857208505995249
NSER,OG,-0.5074539732609095,5.486193497278064,0.0,0.0,5.486193497278064,0.0,5.486193497278064
NSER,O,-0.4952234000224247,5.608473318391609,0.0,0.0,5.608473318391609,0.0,5.608473318391609
NSER,HG,0.4090274693317508,1.4355731978744142,0.0,0.0,1.4355731978744142,0.0,1.4355731978744142
NSER,HG1,0.4090274693317508,1.4355731978744142,0.0,0.0,1.4355731978744142,0.0,1.4355731978744142
NTHR,HN,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,H1,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,1H,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,HN1,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,HT1,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,H2,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,2H,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,HN2,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,HT2,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,H3,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,3H,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,HN3,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,HT3,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,H,0.38208025308258103,0.9687941153302262,0.0,0.0,0.9687941153302262,0.0,0.9687941153302262
NTHR,N,-0.5612504771670307,5.328476246978341,0.0,0.0,5.328476246978341,0.0,5.328476246978341
NTHR,CA,-0.2822125576874376,7.788229379119715,0.0,0.0,7.788229379119715,0.0,7.788229379119715
NTHR,HA,0.23758766991739907,1.6560878970071056,0.0,0.0,1.6560878970071056,0.0,1.6560878970071056
NTHR,CB,0.2057680295035566,7.0956173297004925,0.0,0.0,7.0956173297004925,0.0,7.0956173297004925
NTHR,C,0.7626170480274749,7.945051377967862,0.0,0.0,7.945051377967862,0.0,7.945051377967862
NTHR,HB,0.08721950540028699,1.8546732685997724,0.0,0.0,1.8546732685997724,0.0,1.8546732685997724
NTHR,HB1,0.08721950540028699,1.8546732685997724,0.0,0.0,1.8546732685997724,0.0,1.8546732685997724
NTHR,1HB,0.08721950540028699,1.8546732685997724,0.0,0.0,1.8546732685997724,0.0,1.8546732685997724
NTHR,HB2,0.08721950540028699,1.8546732685997724,0.0,0.0,1.8546732685997724,0.0,1.8546732685997724
NTHR,2HB,0.08721950540028699,1.8546732685997724,0.0,0.0,1.8546732685997724,0.0,1.8546732685997724
NTHR,HB3,0.08721950540028699,1.8546732685997724,0.0,0.0,1.8546732685997724,0.0,1.8546732685997724
NTHR,3HB,0.08721950540028699,1.8546732685997724,0.0,0.0,1.8546732685997724,0.0,1.8546732685997724
NTHR,CG,-0.4964402054732503,7.20243907625764,0.0,0.0,7.20243907625764,0.0,7.20243907625764
NTHR,CG2,-0.4964402054732503,7.20243907625764,0.0,0.0,7.20243907625764,0.0,7.20243907625764
NTHR,OG,-0.5302594424060375,5.29765299820183,0.0,0.0,5.29765299820183,0.0,5.29765299820183
NTHR,OG1,-0.5302594424060375,5.29765299820183,0.0,0.0,5.29765299820183,0.0,5.29765299820183
NTHR,O,-0.49521679001235175,5.417739275386452,0.0,0.0,5.417739275386452,0.0,5.417739275386452
NTHR,HG2,0.1698419328295001,1.6811177875288412,0.0,0.0,1.6811177875288412,0.0,1.6811177875288412
NTHR,HG21,0.1698419328295001,1.6811177875288412,0.0,0.0,1.6811177875288412,0.0,1.6811177875288412
NTHR,1HG2,0.1698419328295001,1.6811177875288412,0.0,0.0,1.6811177875288412,0.0,1.6811177875288412
NTHR,HG22,0.1698419328295001,1.6811177875288412,0.0,0.0,1.6811177875288412,0.0,1.6811177875288412
NTHR,2HG2,0.1698419328295001,1.6811177875288412,0.0,0.0,1.6811177875288412,0.0,1.6811177875288412
NTHR,HG23,0.1698419328295001,1.6811177875288412,0.0,0.0,1.6811177875288412,0.0,1.6811177875288412
NTHR,3HG2,0.1698419328295001,1.6811177875288412,0.0,0.0,1.6811177875288412,0.0,1.6811177875288412
NTHR,HG1,0.41642066216114715,1.3596363784370027,0.0,0.0,1.3596363784370027,0.0,1.3596363784370027
NTHR,HG1,0.41642066216114715,1.3596363784370027,0.0,0.0,1.3596363784370027,0.0,1.3596363784370027
NTHR,HOG1,0.41642066216114715,1.3596363784370027,0.0,0.0,1.3596363784370027,0.0,1.3596363784370027
NTRP,HN,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,H1,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,1H,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,HN1,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,HT1,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,H2,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,2H,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,HN2,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,HT2,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,H3,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,3H,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,HN3,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,HT3,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,H,0.38139196715305834,0.708509598247929,0.0,0.0,0.708509598247929,0.0,0.708509598247929
NTRP,N,-0.607787564009046,5.641285801026466,0.0,0.0,5.641285801026466,0.0,5.641285801026466
NTRP,CA,-0.17864852312713422,7.9217337283299525,0.0,0.0,7.9217337283299525,0.0,7.9217337283299525
NTRP,HA,0.20529973289123335,1.5067741782929105,0.0,0.0,1.5067741782929105,0.0,1.5067741782929105
NTRP,CB,-0.2866504937979426,8.223619832243717,0.0,0.0,8.223619832243717,0.0,8.223619832243717
NTRP,C,0.7226982838795873,7.48643329232254,0.0,0.0,7.48643329232254,0.0,7.48643329232254
NTRP,HB,0.17064361421578014,1.4189209702221302,0.0,0.0,1.4189209702221302,0.0,1.4189209702221302
NTRP,HB1,0.17064361421578014,1.4189209702221302,0.0,0.0,1.4189209702221302,0.0,1.4189209702221302
NTRP,1HB,0.17064361421578014,1.4189209702221302,0.0,0.0,1.4189209702221302,0.0,1.4189209702221302
NTRP,HB2,0.17064361421578014,1.4189209702221302,0.0,0.0,1.4189209702221302,0.0,1.4189209702221302
NTRP,2HB,0.17064361421578014,1.4189209702221302,0.0,0.0,1.4189209702221302,0.0,1.4189209702221302
NTRP,HB3,0.17064361421578014,1.4189209702221302,0.0,0.0,1.4189209702221302,0.0,1.4189209702221302
NTRP,3HB,0.17064361421578014,1.4189209702221302,0.0,0.0,1.4189209702221302,0.0,1.4189209702221302
NTRP,CG,-0.0268733589042465,9.655734155867716,0.0,0.0,9.655734155867716,0.0,9.655734155867716
NTRP,O,-0.48897295940467955,5.082300220243563,0.0,0.0,5.082300220243563,0.0,5.082300220243563
NTRP,CD1,-0.18276313965803317,8.999732168473003,0.0,0.0,8.999732168473003,0.0,8.999732168473003
NTRP,CD2,0.11168993153038537,9.290236628128609,0.0,0.0,9.290236628128609,0.0,9.290236628128609
NTRP,HD,0.18733876800897747,1.9968248173168708,0.0,0.0,1.9968248173168708,0.0,1.9968248173168708
NTRP,HD1,0.18733876800897747,1.9968248173168708,0.0,0.0,1.9968248173168708,0.0,1.9968248173168708
NTRP,NE,-0.3743337126513781,7.06340905096203,0.0,0.0,7.06340905096203,0.0,7.06340905096203
NTRP,NE1,-0.3743337126513781,7.06340905096203,0.0,0.0,7.06340905096203,0.0,7.06340905096203
NTRP,CE2,0.18148864322945946,9.162484795602495,0.0,0.0,9.162484795602495,0.0,9.162484795602495
NTRP,CE3,-0.2502139435612892,9.22947740539234,0.0,0.0,9.22947740539234,0.0,9.22947740539234
NTRP,HE1,0.3731509653967865,1.435894139608366,0.0,0.0,1.435894139608366,0.0,1.435894139608366
NTRP,CZ2,-0.23529533188458876,9.39296696755943,0.0,0.0,9.39296696755943,0.0,9.39296696755943
NTRP,CZ3,-0.1608138181381987,9.107942695572245,0.0,0.0,9.107942695572245,0.0,9.107942695572245
NTRP,HE3,0.15307397160380554,1.8602879698376218,0.0,0.0,1.8602879698376218,0.0,1.8602879698376218
NTRP,HZ2,0.16910513070885594,2.027697860276797,0.0,0.0,2.027697860276797,0.0,2.027697860276797
NTRP,CH2,-0.11412975731754588,8.87349888984645,0.0,0.0,8.87349888984645,0.0,8.87349888984645
NTRP,HZ3,0.15993897262109474,2.075113041574188,0.0,0.0,2.075113041574188,0.0,2.075113041574188
NTRP,HH2,0.1572350726931615,2.1632959967658616,0.0,0.0,2.1632959967658616,0.0,2.1632959967658616
NTYR,HN,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,H1,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,1H,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,HN1,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,HT1,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,H2,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,2H,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,HN2,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,HT2,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,H3,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,3H,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,HN3,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,HT3,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,H,0.36994623605202565,0.7940002221204219,0.0,0.0,0.7940002221204219,0.0,0.7940002221204219
NTYR,N,-0.5606992558306823,5.684168684389504,0.0,0.0,5.684168684389504,0.0,5.684168684389504
NTYR,CA,-0.19348721363251958,8.022674760192805,0.0,0.0,8.022674760192805,0.0,8.022674760192805
NTYR,HA,0.20605263095337778,1.5263314096595215,0.0,0.0,1.5263314096595215,0.0,1.5263314096595215
NTYR,CB,-0.2712113931677515,8.394439850561493,0.0,0.0,8.394439850561493,0.0,8.394439850561493
NTYR,C,0.7344879033499521,7.662969790594903,0.0,0.0,7.662969790594903,0.0,7.662969790594903
NTYR,HB,0.15653459297772832,1.530374908502094,0.0,0.0,1.530374908502094,0.0,1.530374908502094
NTYR,HB1,0.15653459297772832,1.530374908502094,0.0,0.0,1.530374908502094,0.0,1.530374908502094
NTYR,1HB,0.15653459297772832,1.530374908502094,0.0,0.0,1.530374908502094,0.0,1.530374908502094
NTYR,HB2,0.15653459297772832,1.530374908502094,0.0,0.0,1.530374908502094,0.0,1.530374908502094
NTYR,2HB,0.15653459297772832,1.530374908502094,0.0,0.0,1.530374908502094,0.0,1.530374908502094
NTYR,HB3,0.15653459297772832,1.530374908502094,0.0,0.0,1.530374908502094,0.0,1.530374908502094
NTYR,3HB,0.15653459297772832,1.530374908502094,0.0,0.0,1.530374908502094,0.0,1.530374908502094
NTYR,CG,0.11412719015591176,9.384231623968383,0.0,0.0,9.384231623968383,0.0,9.384231623968383
NTYR,O,-0.49515558845031005,5.172104625938924,0.0,0.0,5.172104625938924,0.0,5.172104625938924
NTYR,CD,-0.1863464947706344,8.82875688873803,0.0,0.0,8.82875688873803,0.0,8.82875688873803
NTYR,CD1,-0.1863464947706344,8.82875688873803,0.0,0.0,8.82875688873803,0.0,8.82875688873803
NTYR,CD2,-0.1863464947706344,8.82875688873803,0.0,0.0,8.82875688873803,0.0,8.82875688873803
NTYR,HD,0.14546220723512682,1.6975299817204041,0.0,0.0,1.6975299817204041,0.0,1.6975299817204041
NTYR,HD1,0.14546220723512682,1.6975299817204041,0.0,0.0,1.6975299817204041,0.0,1.6975299817204041
NTYR,HD2,0.14546220723512682,1.6975299817204041,0.0,0.0,1.6975299817204041,0.0,1.6975299817204041
NTYR,CE,-0.24498126411817328,8.943481221862504,0.0,0.0,8.943481221862504,0.0,8.943481221862504
NTYR,CE1,-0.24498126411817328,8.943481221862504,0.0,0.0,8.943481221862504,0.0,8.943481221862504
NTYR,CE2,-0.24498126411817328,8.943481221862504,0.0,0.0,8.943481221862504,0.0,8.943481221862504
NTYR,HE,0.19262474939865962,1.8580112798659651,0.0,0.0,1.8580112798659651,0.0,1.8580112798659651
NTYR,HE1,0.19262474939865962,1.8580112798659651,0.0,0.0,1.8580112798659651,0.0,1.8580112798659651
NTYR,HE2,0.19262474939865962,1.8580112798659651,0.0,0.0,1.8580112798659651,0.0,1.8580112798659651
NTYR,CZ,0.3014718146265783,8.654608340639422,0.0,0.0,8.654608340639422,0.0,8.654608340639422
NTYR,OH,-0.41989835495177213,5.959579004209509,0.0,0.0,5.959579004209509,0.0,5.959579004209509
NTYR,HH,0.34788597734572413,1.1807998986426265,0.0,0.0,1.1807998986426265,0.0,1.1807998986426265
NVAL,HN,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,H1,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,1H,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,HN1,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,HT1,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,H2,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,2H,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,HN2,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,HT2,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,H3,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,3H,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,HN3,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,HT3,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,H,0.3775585609825094,1.1547028890423459,0.0,0.0,1.1547028890423459,0.0,1.1547028890423459
NVAL,N,-0.5528944524278614,5.299465678017332,0.0,0.0,5.299465678017332,0.0,5.299465678017332
NVAL,CA,-0.3804789041612218,7.8341192894971385,0.0,0.0,7.8341192894971385,0.0,7.8341192894971385
NVAL,HA,0.2340515724988353,1.734733187385644,0.0,0.0,1.734733187385644,0.0,1.734733187385644
NVAL,CB,0.19142465724744262,7.360500242597678,0.0,0.0,7.360500242597678,0.0,7.360500242597678
NVAL,C,0.7858177123182307,8.040892202512008,0.0,0.0,8.040892202512008,0.0,8.040892202512008
NVAL,HB,0.07401170499142655,1.8467091153572288,0.0,0.0,1.8467091153572288,0.0,1.8467091153572288
NVAL,HB1,0.07401170499142655,1.8467091153572288,0.0,0.0,1.8467091153572288,0.0,1.8467091153572288
NVAL,1HB,0.07401170499142655,1.8467091153572288,0.0,0.0,1.8467091153572288,0.0,1.8467091153572288
NVAL,HB2,0.07401170499142655,1.8467091153572288,0.0,0.0,1.8467091153572288,0.0,1.8467091153572288
NVAL,2HB,0.07401170499142655,1.8467091153572288,0.0,0.0,1.8467091153572288,0.0,1.8467091153572288
NVAL,HB3,0.07401170499142655,1.8467091153572288,0.0,0.0,1.8467091153572288,0.0,1.8467091153572288
NVAL,3HB,0.07401170499142655,1.8467091153572288,0.0,0.0,1.8467091153572288,0.0,1.8467091153572288
NVAL,CG,-0.39852198529191085,7.2249369062543805,0.0,0.0,7.2249369062543805,0.0,7.2249369062543805
NVAL,CG1,-0.39852198529191085,7.2249369062543805,0.0,0.0,7.2249369062543805,0.0,7.2249369062543805
NVAL,CG2,-0.39852198529191085,7.2249369062543805,0.0,0.0,7.2249369062543805,0.0,7.2249369062543805
NVAL,O,-0.5106069446603964,5.483148710868643,0.0,0.0,5.483148710868643,0.0,5.483148710868643
NVAL,HG,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,HG11,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,1HG1,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,HG21,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,HG12,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,2HG1,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,HG22,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,HG13,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,3HG1,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,HG23,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,HG21,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,1HG2,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,HG22,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,2HG2,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,HG23,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NVAL,3HG2,0.1371738236383063,1.6335911139995445,0.0,0.0,1.6335911139995445,0.0,1.6335911139995445
NASH,HN,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,H1,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,1H,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,HN1,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,HT1,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,H2,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,2H,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,HN2,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,HT2,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,H3,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,3H,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,HN3,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,HT3,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,H,0.3879322891799571,0.9126745835755374,0.0,0.0,0.9126745835755374,0.0,0.9126745835755374
NASH,N,-0.5843160309107502,5.1049964158581345,0.0,0.0,5.1049964158581345,0.0,5.1049964158581345
NASH,CA,-0.19541519287856277,7.679662075602774,0.0,0.0,7.679662075602774,0.0,7.679662075602774
NASH,HA,0.2134508417944196,1.5191264129682658,0.0,0.0,1.5191264129682658,0.0,1.5191264129682658
NASH,CB,-0.2893208889888545,7.58914327912724,0.0,0.0,7.58914327912724,0.0,7.58914327912724
NASH,C,0.7458841476931514,8.14001269908775,0.0,0.0,8.14001269908775,0.0,8.14001269908775
NASH,HB,0.17540220883048752,1.4770893408704306,0.0,0.0,1.4770893408704306,0.0,1.4770893408704306
NASH,HB1,0.17540220883048752,1.4770893408704306,0.0,0.0,1.4770893408704306,0.0,1.4770893408704306
NASH,1HB,0.17540220883048752,1.4770893408704306,0.0,0.0,1.4770893408704306,0.0,1.4770893408704306
NASH,HB2,0.17540220883048752,1.4770893408704306,0.0,0.0,1.4770893408704306,0.0,1.4770893408704306
NASH,2HB,0.17540220883048752,1.4770893408704306,0.0,0.0,1.4770893408704306,0.0,1.4770893408704306
NASH,HB3,0.17540220883048752,1.4770893408704306,0.0,0.0,1.4770893408704306,0.0,1.4770893408704306
NASH,3HB,0.17540220883048752,1.4770893408704306,0.0,0.0,1.4770893408704306,0.0,1.4770893408704306
NASH,CG,0.6669577669704322,7.293173495496214,0.0,0.0,7.293173495496214,0.0,7.293173495496214
NASH,O,-0.48900196035916327,5.499069755672547,0.0,0.0,5.499069755672547,0.0,5.499069755672547
NASH,OD1,-0.4743486889651193,5.180218910355315,0.0,0.0,5.180218910355315,0.0,5.180218910355315
NASH,OD2,-0.5631865053307695,5.513185143416865,0.0,0.0,5.513185143416865,0.0,5.513185143416865
NASH,HD,0.4546952257743698,1.380614684183284,0.0,0.0,1.380614684183284,0.0,1.380614684183284
NASH,HD2,0.4546952257743698,1.380614684183284,0.0,0.0,1.380614684183284,0.0,1.380614684183284
NASH,HD1,0.4546952257743698,1.380614684183284,0.0,0.0,1.380614684183284,0.0,1.380614684183284
NCYD,HN,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,HN,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,H1,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,H1,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,1H,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,1H,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,HN1,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,HN1,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,HT1,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,HT1,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,H2,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,H2,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,2H,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,2H,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,HN2,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,HN2,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,HT2,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,HT2,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,H3,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,H3,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,3H,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,3H,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,HN3,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,HN3,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,HT3,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,HT3,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,H,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYM,H,0.33872968111717094,0.47355949449681334,0.0,0.0,0.47355949449681334,0.0,0.47355949449681334
NCYD,N,-0.5446296116956231,6.939211885038517,0.0,0.0,6.939211885038517,0.0,6.939211885038517
NCYM,N,-0.5446296116956231,6.939211885038517,0.0,0.0,6.939211885038517,0.0,6.939211885038517
NCYD,CA,-0.16783471031148908,12.938963808930962,0.0,0.0,12.938963808930962,0.0,12.938963808930962
NCYM,CA,-0.16783471031148908,12.938963808930962,0.0,0.0,12.938963808930962,0.0,12.938963808930962
NCYD,HA,0.18439449083456375,1.471464110079447,0.0,0.0,1.471464110079447,0.0,1.471464110079447
NCYM,HA,0.18439449083456375,1.471464110079447,0.0,0.0,1.471464110079447,0.0,1.471464110079447
NCYD,CB,-0.349863016972132,13.427490201650693,0.0,0.0,13.427490201650693,0.0,13.427490201650693
NCYM,CB,-0.349863016972132,13.427490201650693,0.0,0.0,13.427490201650693,0.0,13.427490201650693
NCYD,C,0.6180612194057095,8.90248976151654,0.0,0.0,8.90248976151654,0.0,8.90248976151654
NCYM,C,0.6180612194057095,8.90248976151654,0.0,0.0,8.90248976151654,0.0,8.90248976151654
NCYD,HB,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYM,HB,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYD,HB1,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYM,HB1,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYD,1HB,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYM,1HB,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYD,HB2,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYM,HB2,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYD,2HB,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYM,2HB,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYD,HB3,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYM,HB3,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYD,3HB,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYM,3HB,0.18125638695252452,1.2175988285096364,0.0,0.0,1.2175988285096364,0.0,1.2175988285096364
NCYD,SG,-0.6416909448054442,26.846916143024053,0.0,0.0,26.846916143024053,0.0,26.846916143024053
NCYM,SG,-0.6416909448054442,26.846916143024053,0.0,0.0,26.846916143024053,0.0,26.846916143024053
NCYD,O,-0.47713924371214667,5.5217764689280555,0.0,0.0,5.5217764689280555,0.0,5.5217764689280555
NCYM,O,-0.47713924371214667,5.5217764689280555,0.0,0.0,5.5217764689280555,0.0,5.5217764689280555
NCYX,HN,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,HN,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,HN,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,H1,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,H1,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,H1,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,1H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,1H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,1H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,HN1,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,HN1,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,HN1,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,HT1,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,HT1,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,HT1,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,H2,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,H2,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,H2,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,2H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,2H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,2H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,HN2,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,HN2,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,HN2,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,HT2,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,HT2,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,HT2,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,H3,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,H3,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,H3,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,3H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,3H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,3H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,HN3,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,HN3,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,HN3,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,HT3,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,HT3,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,HT3,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS1,H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYS2,H,0.3611334974512379,1.6353636946170504,0.0,0.0,1.6353636946170504,0.0,1.6353636946170504
NCYX,N,-0.42948688831843773,4.866913197404112,0.0,0.0,4.866913197404112,0.0,4.866913197404112
NCYS1,N,-0.42948688831843773,4.866913197404112,0.0,0.0,4.866913197404112,0.0,4.866913197404112
NCYS2,N,-0.42948688831843773,4.866913197404112,0.0,0.0,4.866913197404112,0.0,4.866913197404112
NCYX,CA,-0.46186086130514714,7.308281167220363,0.0,0.0,7.308281167220363,0.0,7.308281167220363
NCYS1,CA,-0.46186086130514714,7.308281167220363,0.0,0.0,7.308281167220363,0.0,7.308281167220363
NCYS2,CA,-0.46186086130514714,7.308281167220363,0.0,0.0,7.308281167220363,0.0,7.308281167220363
NCYX,HA,0.2885626272451065,0.7865363100336912,0.0,0.0,0.7865363100336912,0.0,0.7865363100336912
NCYS1,HA,0.2885626272451065,0.7865363100336912,0.0,0.0,0.7865363100336912,0.0,0.7865363100336912
NCYS2,HA,0.2885626272451065,0.7865363100336912,0.0,0.0,0.7865363100336912,0.0,0.7865363100336912
NCYX,CB,-0.4613147323209532,9.537905153747886,0.0,0.0,9.537905153747886,0.0,9.537905153747886
NCYS1,CB,-0.4613147323209532,9.537905153747886,0.0,0.0,9.537905153747886,0.0,9.537905153747886
NCYS2,CB,-0.4613147323209532,9.537905153747886,0.0,0.0,9.537905153747886,0.0,9.537905153747886
NCYX,C,0.8238551090859031,5.810497954193314,0.0,0.0,5.810497954193314,0.0,5.810497954193314
NCYS1,C,0.8238551090859031,5.810497954193314,0.0,0.0,5.810497954193314,0.0,5.810497954193314
NCYS2,C,0.8238551090859031,5.810497954193314,0.0,0.0,5.810497954193314,0.0,5.810497954193314
NCYX,HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS1,HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS2,HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYX,HB1,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS1,HB1,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS2,HB1,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYX,1HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS1,1HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS2,1HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYX,HB2,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS1,HB2,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS2,HB2,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYX,2HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS1,2HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS2,2HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYX,HB3,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS1,HB3,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS2,HB3,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYX,3HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS1,3HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYS2,3HB,0.2609803570324752,1.6672991770542822,0.0,0.0,1.6672991770542822,0.0,1.6672991770542822
NCYX,SG,0.1340375734229055,21.599415882938768,0.0,0.0,21.599415882938768,0.0,21.599415882938768
NCYS1,SG,0.1340375734229055,21.599415882938768,0.0,0.0,21.599415882938768,0.0,21.599415882938768
NCYS2,SG,0.1340375734229055,21.599415882938768,0.0,0.0,21.599415882938768,0.0,21.599415882938768
NCYX,S,0.1340375734229055,21.599415882938768,0.0,0.0,21.599415882938768,0.0,21.599415882938768
NCYS1,S,0.1340375734229055,21.599415882938768,0.0,0.0,21.599415882938768,0.0,21.599415882938768
NCYS2,S,0.1340375734229055,21.599415882938768,0.0,0.0,21.599415882938768,0.0,21.599415882938768
NCYX,O,-0.49915403422804117,4.72681972245015,0.0,0.0,4.72681972245015,0.0,4.72681972245015
NCYS1,O,-0.49915403422804117,4.72681972245015,0.0,0.0,4.72681972245015,0.0,4.72681972245015
NCYS2,O,-0.49915403422804117,4.72681972245015,0.0,0.0,4.72681972245015,0.0,4.72681972245015
NGLH,HN,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,H1,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,1H,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,HN1,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,HT1,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,H2,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,2H,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,HN2,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,HT2,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,H3,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,3H,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,HN3,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,HT3,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,H,0.3883532718771911,0.8543268915067963,0.0,0.0,0.8543268915067963,0.0,0.8543268915067963
NGLH,N,-0.5987780161104708,5.132035734250826,0.0,0.0,5.132035734250826,0.0,5.132035734250826
NGLH,CA,-0.20679259208521156,7.867398729740126,0.0,0.0,7.867398729740126,0.0,7.867398729740126
NGLH,HA,0.21542804690020226,1.635379606620182,0.0,0.0,1.635379606620182,0.0,1.635379606620182
NGLH,CB,-0.18216736722293056,7.325662110850546,0.0,0.0,7.325662110850546,0.0,7.325662110850546
NGLH,C,0.7347894756865629,8.180404010816595,0.0,0.0,8.180404010816595,0.0,8.180404010816595
NGLH,HB,0.1480569770530437,1.3795863332205136,0.0,0.0,1.3795863332205136,0.0,1.3795863332205136
NGLH,HB1,0.1480569770530437,1.3795863332205136,0.0,0.0,1.3795863332205136,0.0,1.3795863332205136
NGLH,1HB,0.1480569770530437,1.3795863332205136,0.0,0.0,1.3795863332205136,0.0,1.3795863332205136
NGLH,HB2,0.1480569770530437,1.3795863332205136,0.0,0.0,1.3795863332205136,0.0,1.3795863332205136
NGLH,2HB,0.1480569770530437,1.3795863332205136,0.0,0.0,1.3795863332205136,0.0,1.3795863332205136
NGLH,HB3,0.1480569770530437,1.3795863332205136,0.0,0.0,1.3795863332205136,0.0,1.3795863332205136
NGLH,3HB,0.1480569770530437,1.3795863332205136,0.0,0.0,1.3795863332205136,0.0,1.3795863332205136
NGLH,CG,-0.24565730782764378,7.766409230210476,0.0,0.0,7.766409230210476,0.0,7.766409230210476
NGLH,O,-0.49068431168097,5.505475976012871,0.0,0.0,5.505475976012871,0.0,5.505475976012871
NGLH,HG,0.1379006178155541,1.5439082023201935,0.0,0.0,1.5439082023201935,0.0,1.5439082023201935
NGLH,1HG,0.1379006178155541,1.5439082023201935,0.0,0.0,1.5439082023201935,0.0,1.5439082023201935
NGLH,HG1,0.1379006178155541,1.5439082023201935,0.0,0.0,1.5439082023201935,0.0,1.5439082023201935
NGLH,HG2,0.1379006178155541,1.5439082023201935,0.0,0.0,1.5439082023201935,0.0,1.5439082023201935
NGLH,2HG,0.1379006178155541,1.5439082023201935,0.0,0.0,1.5439082023201935,0.0,1.5439082023201935
NGLH,HG3,0.1379006178155541,1.5439082023201935,0.0,0.0,1.5439082023201935,0.0,1.5439082023201935
NGLH,3HG,0.1379006178155541,1.5439082023201935,0.0,0.0,1.5439082023201935,0.0,1.5439082023201935
NGLH,CD,0.656612280638745,7.41334982571845,0.0,0.0,7.41334982571845,0.0,7.41334982571845
NGLH,OE1,-0.48876859348980556,5.671623985136828,0.0,0.0,5.671623985136828,0.0,5.671623985136828
NGLH,OE2,-0.5788286157818967,5.252568869325755,0.0,0.0,5.252568869325755,0.0,5.252568869325755
NGLH,HE,0.44787199560464996,1.4218302685079136,0.0,0.0,1.4218302685079136,0.0,1.4218302685079136
NGLH,HE2,0.44787199560464996,1.4218302685079136,0.0,0.0,1.4218302685079136,0.0,1.4218302685079136
NGLH,HE1,0.44787199560464996,1.4218302685079136,0.0,0.0,1.4218302685079136,0.0,1.4218302685079136
NGLH,1HE,0.44787199560464996,1.4218302685079136,0.0,0.0,1.4218302685079136,0.0,1.4218302685079136
NGLH,2HE,0.44787199560464996,1.4218302685079136,0.0,0.0,1.4218302685079136,0.0,1.4218302685079136
NLYD,HN,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,HN,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,H1,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,H1,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,1H,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,1H,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,HN1,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,HN1,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,HT1,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,HT1,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,H2,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,H2,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,2H,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,2H,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,HN2,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,HN2,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,HT2,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,HT2,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,H3,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,H3,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,3H,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,3H,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,HN3,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,HN3,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,HT3,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,HT3,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,H,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYN,H,0.3889367440943065,0.8481656065660419,0.0,0.0,0.8481656065660419,0.0,0.8481656065660419
NLYD,N,-0.6217549314922877,5.15227595391622,0.0,0.0,5.15227595391622,0.0,5.15227595391622
NLYN,N,-0.6217549314922877,5.15227595391622,0.0,0.0,5.15227595391622,0.0,5.15227595391622
NLYD,CA,-0.1707962469849197,7.989758404163508,0.0,0.0,7.989758404163508,0.0,7.989758404163508
NLYN,CA,-0.1707962469849197,7.989758404163508,0.0,0.0,7.989758404163508,0.0,7.989758404163508
NLYD,HA,0.19760563431613443,1.6250061878619992,0.0,0.0,1.6250061878619992,0.0,1.6250061878619992
NLYN,HA,0.19760563431613443,1.6250061878619992,0.0,0.0,1.6250061878619992,0.0,1.6250061878619992
NLYD,CB,-0.1686720326111679,7.685493140000161,0.0,0.0,7.685493140000161,0.0,7.685493140000161
NLYN,CB,-0.1686720326111679,7.685493140000161,0.0,0.0,7.685493140000161,0.0,7.685493140000161
NLYD,C,0.7218290491222017,8.248456737329002,0.0,0.0,8.248456737329002,0.0,8.248456737329002
NLYN,C,0.7218290491222017,8.248456737329002,0.0,0.0,8.248456737329002,0.0,8.248456737329002
NLYD,HB,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYN,HB,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYD,HB1,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYN,HB1,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYD,1HB,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYN,1HB,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYD,HB2,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYN,HB2,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYD,2HB,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYN,2HB,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYD,HB3,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYN,HB3,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYD,3HB,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYN,3HB,0.12071640336865837,1.4322834422221402,0.0,0.0,1.4322834422221402,0.0,1.4322834422221402
NLYD,CG,-0.09970259250752617,7.84171277093162,0.0,0.0,7.84171277093162,0.0,7.84171277093162
NLYN,CG,-0.09970259250752617,7.84171277093162,0.0,0.0,7.84171277093162,0.0,7.84171277093162
NLYD,O,-0.4930977673367158,5.5167968238350245,0.0,0.0,5.5167968238350245,0.0,5.5167968238350245
NLYN,O,-0.4930977673367158,5.5167968238350245,0.0,0.0,5.5167968238350245,0.0,5.5167968238350245
NLYD,HG,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYN,HG,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYD,1HG,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYN,1HG,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYD,HG1,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYN,HG1,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYD,HG2,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYN,HG2,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYD,2HG,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYN,2HG,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYD,HG3,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYN,HG3,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYD,3HG,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYN,3HG,0.07762608459369542,1.5589830981517372,0.0,0.0,1.5589830981517372,0.0,1.5589830981517372
NLYD,CD,-0.20570388684458946,7.787632450056553,0.0,0.0,7.787632450056553,0.0,7.787632450056553
NLYN,CD,-0.20570388684458946,7.787632450056553,0.0,0.0,7.787632450056553,0.0,7.787632450056553
NLYD,HD,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYN,HD,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYD,1HD,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYN,1HD,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYD,HD1,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYN,HD1,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYD,HD2,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYN,HD2,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYD,2HD,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYN,2HD,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYD,HD3,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYN,HD3,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYD,3HD,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYN,3HD,0.10194007716593155,1.6060682462846205,0.0,0.0,1.6060682462846205,0.0,1.6060682462846205
NLYD,CE,0.13269137505576828,7.753691390647774,0.0,0.0,7.753691390647774,0.0,7.753691390647774
NLYN,CE,0.13269137505576828,7.753691390647774,0.0,0.0,7.753691390647774,0.0,7.753691390647774
NLYD,HE,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYN,HE,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYD,HE2,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYN,HE2,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYD,1HE,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYN,1HE,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYD,HE1,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYN,HE1,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYD,HE3,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYN,HE3,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYD,2HE,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYN,2HE,0.044215151260149604,1.7349288358551505,0.0,0.0,1.7349288358551505,0.0,1.7349288358551505
NLYD,NZ,-0.7680000945649876,7.606734682549191,0.0,0.0,7.606734682549191,0.0,7.606734682549191
NLYN,NZ,-0.7680000945649876,7.606734682549191,0.0,0.0,7.606734682549191,0.0,7.606734682549191
NLYD,HZ,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,HZ,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYD,HZ1,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,HZ1,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYD,1HZ,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,1HZ,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYD,HNZ1,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,HNZ1,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYD,HZ2,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,HZ2,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYD,2HZ,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,2HZ,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYD,HNZ2,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,HNZ2,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYD,HZ3,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,HZ3,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYD,3HZ,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,3HZ,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYD,HNZ3,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
NLYN,HNZ3,0.30989791439415026,1.4113760396909054,0.0,0.0,1.4113760396909054,0.0,1.4113760396909054
nALA,HN,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,H1,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,1H,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,HN1,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,HT1,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,H2,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,2H,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,HN2,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,HT2,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,H3,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,3H,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,HN3,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,HT3,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,H,0.32513315357625777,1.405093610453816,0.0,0.0,1.405093610453816,0.0,1.405093610453816
nALA,N,-0.8490831965989174,7.311824682161123,0.0,0.0,7.311824682161123,0.0,7.311824682161123
nALA,CA,0.24061676182901146,7.86362306984286,0.0,0.0,7.86362306984286,0.0,7.86362306984286
nALA,HA,0.04787731189959857,1.931802172526464,0.0,0.0,1.931802172526464,0.0,1.931802172526464
nALA,CB,-0.35900781965945244,7.7031958625844545,0.0,0.0,7.7031958625844545,0.0,7.7031958625844545
nALA,C,0.4597413287787676,8.26677857334877,0.0,0.0,8.26677857334877,0.0,8.26677857334877
nALA,HB,0.09802391343572024,1.7732419641243826,0.0,0.0,1.7732419641243826,0.0,1.7732419641243826
nALA,HB1,0.09802391343572024,1.7732419641243826,0.0,0.0,1.7732419641243826,0.0,1.7732419641243826
nALA,1HB,0.09802391343572024,1.7732419641243826,0.0,0.0,1.7732419641243826,0.0,1.7732419641243826
nALA,HB2,0.09802391343572024,1.7732419641243826,0.0,0.0,1.7732419641243826,0.0,1.7732419641243826
nALA,2HB,0.09802391343572024,1.7732419641243826,0.0,0.0,1.7732419641243826,0.0,1.7732419641243826
nALA,HB3,0.09802391343572024,1.7732419641243826,0.0,0.0,1.7732419641243826,0.0,1.7732419641243826
nALA,3HB,0.09802391343572024,1.7732419641243826,0.0,0.0,1.7732419641243826,0.0,1.7732419641243826
nALA,O,-0.4844824337086841,5.8662781607048355,0.0,0.0,5.8662781607048355,0.0,5.8662781607048355
nARG,HN,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,H1,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,1H,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,HN1,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,HT1,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,H2,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,2H,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,HN2,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,HT2,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,H3,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,3H,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,HN3,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,HT3,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,H,0.3190453590371318,1.2567911742999174,0.0,0.0,1.2567911742999174,0.0,1.2567911742999174
nARG,N,-0.7630442651893797,6.932477841333467,0.0,0.0,6.932477841333467,0.0,6.932477841333467
nARG,CA,0.06128568172116327,8.210034241508293,0.0,0.0,8.210034241508293,0.0,8.210034241508293
nARG,HA,0.09781033515618336,1.776366898226436,0.0,0.0,1.776366898226436,0.0,1.776366898226436
nARG,CB,-0.21231933411115592,7.977050396689347,0.0,0.0,7.977050396689347,0.0,7.977050396689347
nARG,C,0.555672056437871,8.488222256457288,0.0,0.0,8.488222256457288,0.0,8.488222256457288
nARG,HB,0.0895337685327691,1.4473153887736228,0.0,0.0,1.4473153887736228,0.0,1.4473153887736228
nARG,HB1,0.0895337685327691,1.4473153887736228,0.0,0.0,1.4473153887736228,0.0,1.4473153887736228
nARG,1HB,0.0895337685327691,1.4473153887736228,0.0,0.0,1.4473153887736228,0.0,1.4473153887736228
nARG,HB2,0.0895337685327691,1.4473153887736228,0.0,0.0,1.4473153887736228,0.0,1.4473153887736228
nARG,2HB,0.0895337685327691,1.4473153887736228,0.0,0.0,1.4473153887736228,0.0,1.4473153887736228
nARG,HB3,0.0895337685327691,1.4473153887736228,0.0,0.0,1.4473153887736228,0.0,1.4473153887736228
nARG,3HB,0.0895337685327691,1.4473153887736228,0.0,0.0,1.4473153887736228,0.0,1.4473153887736228
nARG,CG,-0.054383264845160276,7.972923209357992,0.0,0.0,7.972923209357992,0.0,7.972923209357992
nARG,CG,-0.054383264845160276,7.972923209357992,0.0,0.0,7.972923209357992,0.0,7.972923209357992
nARG,O,-0.5085282394128195,5.807750746008565,0.0,0.0,5.807750746008565,0.0,5.807750746008565
nARG,O,-0.5085282394128195,5.807750746008565,0.0,0.0,5.807750746008565,0.0,5.807750746008565
nARG,HG,0.07306385907242134,1.4289190943102792,0.0,0.0,1.4289190943102792,0.0,1.4289190943102792
nARG,1HG,0.07306385907242134,1.4289190943102792,0.0,0.0,1.4289190943102792,0.0,1.4289190943102792
nARG,HG1,0.07306385907242134,1.4289190943102792,0.0,0.0,1.4289190943102792,0.0,1.4289190943102792
nARG,HG2,0.07306385907242134,1.4289190943102792,0.0,0.0,1.4289190943102792,0.0,1.4289190943102792
nARG,2HG,0.07306385907242134,1.4289190943102792,0.0,0.0,1.4289190943102792,0.0,1.4289190943102792
nARG,HG3,0.07306385907242134,1.4289190943102792,0.0,0.0,1.4289190943102792,0.0,1.4289190943102792
nARG,3HG,0.07306385907242134,1.4289190943102792,0.0,0.0,1.4289190943102792,0.0,1.4289190943102792
nARG,CD,-0.07574916835043875,7.424684499688492,0.0,0.0,7.424684499688492,0.0,7.424684499688492
nARG,HD,0.12625608315991146,1.4213982918982022,0.0,0.0,1.4213982918982022,0.0,1.4213982918982022
nARG,1HD,0.12625608315991146,1.4213982918982022,0.0,0.0,1.4213982918982022,0.0,1.4213982918982022
nARG,HD1,0.12625608315991146,1.4213982918982022,0.0,0.0,1.4213982918982022,0.0,1.4213982918982022
nARG,HD2,0.12625608315991146,1.4213982918982022,0.0,0.0,1.4213982918982022,0.0,1.4213982918982022
nARG,2HD,0.12625608315991146,1.4213982918982022,0.0,0.0,1.4213982918982022,0.0,1.4213982918982022
nARG,HD3,0.12625608315991146,1.4213982918982022,0.0,0.0,1.4213982918982022,0.0,1.4213982918982022
nARG,3HD,0.12625608315991146,1.4213982918982022,0.0,0.0,1.4213982918982022,0.0,1.4213982918982022
nARG,NE,-0.42552897933591527,7.360287901334082,0.0,0.0,7.360287901334082,0.0,7.360287901334082
nARG,HE,0.3595161572357423,1.158919657273662,0.0,0.0,1.158919657273662,0.0,1.158919657273662
nARG,HE,0.3595161572357423,1.158919657273662,0.0,0.0,1.158919657273662,0.0,1.158919657273662
nARG,CZ,0.5315034093732245,8.1815689999074,0.0,0.0,8.1815689999074,0.0,8.1815689999074
nARG,NH,-0.7062382979697677,6.356607192117113,0.0,0.0,6.356607192117113,0.0,6.356607192117113
nARG,NH1,-0.7062382979697677,6.356607192117113,0.0,0.0,6.356607192117113,0.0,6.356607192117113
nARG,NH2,-0.7062382979697677,6.356607192117113,0.0,0.0,6.356607192117113,0.0,6.356607192117113
nARG,HH,0.40761101691393825,0.7616588274288832,0.0,0.0,0.7616588274288832,0.0,0.7616588274288832
nARG,HH11,0.40761101691393825,0.7616588274288832,0.0,0.0,0.7616588274288832,0.0,0.7616588274288832
nARG,1HH1,0.40761101691393825,0.7616588274288832,0.0,0.0,0.7616588274288832,0.0,0.7616588274288832
nARG,HH12,0.40761101691393825,0.7616588274288832,0.0,0.0,0.7616588274288832,0.0,0.7616588274288832
nARG,2HH1,0.40761101691393825,0.7616588274288832,0.0,0.0,0.7616588274288832,0.0,0.7616588274288832
nARG,HH21,0.40761101691393825,0.7616588274288832,0.0,0.0,0.7616588274288832,0.0,0.7616588274288832
nARG,1HH2,0.40761101691393825,0.7616588274288832,0.0,0.0,0.7616588274288832,0.0,0.7616588274288832
nARG,HH22,0.40761101691393825,0.7616588274288832,0.0,0.0,0.7616588274288832,0.0,0.7616588274288832
nARG,2HH2,0.40761101691393825,0.7616588274288832,0.0,0.0,0.7616588274288832,0.0,0.7616588274288832
nASN,HN,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,H1,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,1H,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,HN1,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,HT1,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,H2,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,2H,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,HN2,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,HT2,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,H3,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,3H,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,HN3,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,HT3,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,H,0.32049417436370364,1.2953551631495737,0.0,0.0,1.2953551631495737,0.0,1.2953551631495737
nASN,N,-0.8132175830503111,6.943458317704639,0.0,0.0,6.943458317704639,0.0,6.943458317704639
nASN,CA,0.18204788957401952,8.02927306097661,0.0,0.0,8.02927306097661,0.0,8.02927306097661
nASN,HA,0.07066857938009372,1.6094351567086136,0.0,0.0,1.6094351567086136,0.0,1.6094351567086136
nASN,CB,-0.43691572811392937,8.038977749076707,0.0,0.0,8.038977749076707,0.0,8.038977749076707
nASN,C,0.5013130032195292,8.402562218041203,0.0,0.0,8.402562218041203,0.0,8.402562218041203
nASN,HB,0.12726995640095742,1.521305890910345,0.0,0.0,1.521305890910345,0.0,1.521305890910345
nASN,HB1,0.12726995640095742,1.521305890910345,0.0,0.0,1.521305890910345,0.0,1.521305890910345
nASN,1HB,0.12726995640095742,1.521305890910345,0.0,0.0,1.521305890910345,0.0,1.521305890910345
nASN,HB2,0.12726995640095742,1.521305890910345,0.0,0.0,1.521305890910345,0.0,1.521305890910345
nASN,2HB,0.12726995640095742,1.521305890910345,0.0,0.0,1.521305890910345,0.0,1.521305890910345
nASN,HB3,0.12726995640095742,1.521305890910345,0.0,0.0,1.521305890910345,0.0,1.521305890910345
nASN,3HB,0.12726995640095742,1.521305890910345,0.0,0.0,1.521305890910345,0.0,1.521305890910345
nASN,CG,0.780734045501182,8.159143497003564,0.0,0.0,8.159143497003564,0.0,8.159143497003564
nASN,O,-0.4971637504221729,5.8095808533085345,0.0,0.0,5.8095808533085345,0.0,5.8095808533085345
nASN,OD,-0.5290069241798626,5.675198144274358,0.0,0.0,5.675198144274358,0.0,5.675198144274358
nASN,OD1,-0.5290069241798626,5.675198144274358,0.0,0.0,5.675198144274358,0.0,5.675198144274358
nASN,ND,-0.9688226585352832,7.53782931073286,0.0,0.0,7.53782931073286,0.0,7.53782931073286
nASN,ND2,-0.9688226585352832,7.53782931073286,0.0,0.0,7.53782931073286,0.0,7.53782931073286
nASN,HD,0.4074174325487063,1.3036629040910575,0.0,0.0,1.3036629040910575,0.0,1.3036629040910575
nASN,HD21,0.4074174325487063,1.3036629040910575,0.0,0.0,1.3036629040910575,0.0,1.3036629040910575
nASN,1HD2,0.4074174325487063,1.3036629040910575,0.0,0.0,1.3036629040910575,0.0,1.3036629040910575
nASN,HN21,0.4074174325487063,1.3036629040910575,0.0,0.0,1.3036629040910575,0.0,1.3036629040910575
nASN,HD22,0.4074174325487063,1.3036629040910575,0.0,0.0,1.3036629040910575,0.0,1.3036629040910575
nASN,2HD2,0.4074174325487063,1.3036629040910575,0.0,0.0,1.3036629040910575,0.0,1.3036629040910575
nASN,HN22,0.4074174325487063,1.3036629040910575,0.0,0.0,1.3036629040910575,0.0,1.3036629040910575
nASP,HN,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,H1,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,1H,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,HN1,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,HT1,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,H2,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,2H,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,HN2,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,HT2,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,H3,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,3H,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,HN3,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,HT3,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,H,0.3068069463136858,1.1598537025391424,0.0,0.0,1.1598537025391424,0.0,1.1598537025391424
nASP,N,-0.9000224945294206,7.096900494241688,0.0,0.0,7.096900494241688,0.0,7.096900494241688
nASP,CA,0.34256357751244915,9.095252185158204,0.0,0.0,9.095252185158204,0.0,9.095252185158204
nASP,HA,-0.008569108179269933,1.533459527073111,0.0,0.0,1.533459527073111,0.0,1.533459527073111
nASP,CB,-0.09402165737235502,10.15620199325684,0.0,0.0,10.15620199325684,0.0,10.15620199325684
nASP,C,0.32194622926536687,9.04985022379814,0.0,0.0,9.04985022379814,0.0,9.04985022379814
nASP,HB,-0.029264473557017827,1.3962192006120309,0.0,0.0,1.3962192006120309,0.0,1.3962192006120309
nASP,HB1,-0.029264473557017827,1.3962192006120309,0.0,0.0,1.3962192006120309,0.0,1.3962192006120309
nASP,1HB,-0.029264473557017827,1.3962192006120309,0.0,0.0,1.3962192006120309,0.0,1.3962192006120309
nASP,HB2,-0.029264473557017827,1.3962192006120309,0.0,0.0,1.3962192006120309,0.0,1.3962192006120309
nASP,2HB,-0.029264473557017827,1.3962192006120309,0.0,0.0,1.3962192006120309,0.0,1.3962192006120309
nASP,HB3,-0.029264473557017827,1.3962192006120309,0.0,0.0,1.3962192006120309,0.0,1.3962192006120309
nASP,3HB,-0.029264473557017827,1.3962192006120309,0.0,0.0,1.3962192006120309,0.0,1.3962192006120309
nASP,CG,0.8338324598731365,10.638657518057695,0.0,0.0,10.638657518057695,0.0,10.638657518057695
nASP,O,-0.4779458304422224,5.910628169003937,0.0,0.0,5.910628169003937,0.0,5.910628169003937
nASP,OD,-0.7864340608205103,6.977964716764587,0.0,0.0,6.977964716764587,0.0,6.977964716764587
nASP,OD1,-0.7864340608205103,6.977964716764587,0.0,0.0,6.977964716764587,0.0,6.977964716764587
nASP,OD2,-0.7864340608205103,6.977964716764587,0.0,0.0,6.977964716764587,0.0,6.977964716764587
nCYS,HN,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,H1,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,1H,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,HN1,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,HT1,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,H2,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,2H,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,HN2,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,HT2,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,H3,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,3H,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,HN3,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,HT3,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,H,0.32003021788374664,1.1816240505711686,0.0,0.0,1.1816240505711686,0.0,1.1816240505711686
nCYS,N,-0.7841829808986563,6.896134577789744,0.0,0.0,6.896134577789744,0.0,6.896134577789744
nCYS,CA,0.13950349644864618,8.431397677029544,0.0,0.0,8.431397677029544,0.0,8.431397677029544
nCYS,HA,0.09194497176560647,1.675232392459388,0.0,0.0,1.675232392459388,0.0,1.675232392459388
nCYS,CB,-0.24018028430261484,9.124169743822387,0.0,0.0,9.124169743822387,0.0,9.124169743822387
nCYS,C,0.505063664991385,8.45445925188965,0.0,0.0,8.45445925188965,0.0,8.45445925188965
nCYS,HB,0.11529480079771753,1.444985353719563,0.0,0.0,1.444985353719563,0.0,1.444985353719563
nCYS,HB1,0.11529480079771753,1.444985353719563,0.0,0.0,1.444985353719563,0.0,1.444985353719563
nCYS,1HB,0.11529480079771753,1.444985353719563,0.0,0.0,1.444985353719563,0.0,1.444985353719563
nCYS,HB2,0.11529480079771753,1.444985353719563,0.0,0.0,1.444985353719563,0.0,1.444985353719563
nCYS,2HB,0.11529480079771753,1.444985353719563,0.0,0.0,1.444985353719563,0.0,1.444985353719563
nCYS,HB3,0.11529480079771753,1.444985353719563,0.0,0.0,1.444985353719563,0.0,1.444985353719563
nCYS,3HB,0.11529480079771753,1.444985353719563,0.0,0.0,1.444985353719563,0.0,1.444985353719563
nCYS,SG,-0.26765426951634685,18.61401031861528,0.0,0.0,18.61401031861528,0.0,18.61401031861528
nCYS,S,-0.26765426951634685,18.61401031861528,0.0,0.0,18.61401031861528,0.0,18.61401031861528
nCYS,O,-0.48536878275887924,5.759810034313045,0.0,0.0,5.759810034313045,0.0,5.759810034313045
nCYS,HG,0.17022414690793125,2.752315899660458,0.0,0.0,2.752315899660458,0.0,2.752315899660458
nCYS,HG1,0.17022414690793125,2.752315899660458,0.0,0.0,2.752315899660458,0.0,2.752315899660458
nGLN,HN,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,H1,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,1H,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,HN1,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,HT1,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,H2,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,2H,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,HN2,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,HT2,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,H3,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,3H,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,HN3,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,HT3,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,H,0.31718725077267407,1.2531358839622713,0.0,0.0,1.2531358839622713,0.0,1.2531358839622713
nGLN,N,-0.8192572786790216,7.007675935983422,0.0,0.0,7.007675935983422,0.0,7.007675935983422
nGLN,CA,0.15756990145687189,8.143561842692495,0.0,0.0,8.143561842692495,0.0,8.143561842692495
nGLN,HA,0.06834928599231356,1.784066768284845,0.0,0.0,1.784066768284845,0.0,1.784066768284845
nGLN,CB,-0.09997970878199809,7.709597397652534,0.0,0.0,7.709597397652534,0.0,7.709597397652534
nGLN,C,0.47679313780782523,8.393859222241378,0.0,0.0,8.393859222241378,0.0,8.393859222241378
nGLN,HB,0.06548821514618257,1.3906594802085879,0.0,0.0,1.3906594802085879,0.0,1.3906594802085879
nGLN,HB1,0.06548821514618257,1.3906594802085879,0.0,0.0,1.3906594802085879,0.0,1.3906594802085879
nGLN,1HB,0.06548821514618257,1.3906594802085879,0.0,0.0,1.3906594802085879,0.0,1.3906594802085879
nGLN,HB2,0.06548821514618257,1.3906594802085879,0.0,0.0,1.3906594802085879,0.0,1.3906594802085879
nGLN,2HB,0.06548821514618257,1.3906594802085879,0.0,0.0,1.3906594802085879,0.0,1.3906594802085879
nGLN,HB3,0.06548821514618257,1.3906594802085879,0.0,0.0,1.3906594802085879,0.0,1.3906594802085879
nGLN,3HB,0.06548821514618257,1.3906594802085879,0.0,0.0,1.3906594802085879,0.0,1.3906594802085879
nGLN,CG,-0.2836872493796686,8.107191289168277,0.0,0.0,8.107191289168277,0.0,8.107191289168277
nGLN,O,-0.5034344179168182,5.82011566345737,0.0,0.0,5.82011566345737,0.0,5.82011566345737
nGLN,HG,0.0925008189401252,1.4756838849525202,0.0,0.0,1.4756838849525202,0.0,1.4756838849525202
nGLN,1HG,0.0925008189401252,1.4756838849525202,0.0,0.0,1.4756838849525202,0.0,1.4756838849525202
nGLN,HG1,0.0925008189401252,1.4756838849525202,0.0,0.0,1.4756838849525202,0.0,1.4756838849525202
nGLN,HG2,0.0925008189401252,1.4756838849525202,0.0,0.0,1.4756838849525202,0.0,1.4756838849525202
nGLN,2HG,0.0925008189401252,1.4756838849525202,0.0,0.0,1.4756838849525202,0.0,1.4756838849525202
nGLN,HG3,0.0925008189401252,1.4756838849525202,0.0,0.0,1.4756838849525202,0.0,1.4756838849525202
nGLN,3HG,0.0925008189401252,1.4756838849525202,0.0,0.0,1.4756838849525202,0.0,1.4756838849525202
nGLN,CD,0.7587011734449884,8.109980546635928,0.0,0.0,8.109980546635928,0.0,8.109980546635928
nGLN,OE,-0.5467826508389378,5.728215344442495,0.0,0.0,5.728215344442495,0.0,5.728215344442495
nGLN,OE1,-0.5467826508389378,5.728215344442495,0.0,0.0,5.728215344442495,0.0,5.728215344442495
nGLN,NE,-0.9705408581967185,7.636786502092998,0.0,0.0,7.636786502092998,0.0,7.636786502092998
nGLN,NE2,-0.9705408581967185,7.636786502092998,0.0,0.0,7.636786502092998,0.0,7.636786502092998
nGLN,HE,0.4059580476866001,1.2977935868906458,0.0,0.0,1.2977935868906458,0.0,1.2977935868906458
nGLN,HE21,0.4059580476866001,1.2977935868906458,0.0,0.0,1.2977935868906458,0.0,1.2977935868906458
nGLN,1HE2,0.4059580476866001,1.2977935868906458,0.0,0.0,1.2977935868906458,0.0,1.2977935868906458
nGLN,HE22,0.4059580476866001,1.2977935868906458,0.0,0.0,1.2977935868906458,0.0,1.2977935868906458
nGLN,2HE2,0.4059580476866001,1.2977935868906458,0.0,0.0,1.2977935868906458,0.0,1.2977935868906458
nGLU,HN,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,H1,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,1H,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,HN1,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,HT1,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,H2,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,2H,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,HN2,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,HT2,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,H3,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,3H,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,HN3,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,HT3,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,H,0.3094532773498067,1.1593225479893534,0.0,0.0,1.1593225479893534,0.0,1.1593225479893534
nGLU,N,-0.8802390780378712,7.135323912856366,0.0,0.0,7.135323912856366,0.0,7.135323912856366
nGLU,CA,0.23901825927128753,8.799184145759623,0.0,0.0,8.799184145759623,0.0,8.799184145759623
nGLU,HA,0.02502695643735686,1.7353560971704605,0.0,0.0,1.7353560971704605,0.0,1.7353560971704605
nGLU,CB,0.09285358386828835,8.526416688178507,0.0,0.0,8.526416688178507,0.0,8.526416688178507
nGLU,C,0.3649104509723902,8.717877574749224,0.0,0.0,8.717877574749224,0.0,8.717877574749224
nGLU,HB,-0.02660269374082131,1.2226950497014033,0.0,0.0,1.2226950497014033,0.0,1.2226950497014033
nGLU,HB1,-0.02660269374082131,1.2226950497014033,0.0,0.0,1.2226950497014033,0.0,1.2226950497014033
nGLU,1HB,-0.02660269374082131,1.2226950497014033,0.0,0.0,1.2226950497014033,0.0,1.2226950497014033
nGLU,HB2,-0.02660269374082131,1.2226950497014033,0.0,0.0,1.2226950497014033,0.0,1.2226950497014033
nGLU,2HB,-0.02660269374082131,1.2226950497014033,0.0,0.0,1.2226950497014033,0.0,1.2226950497014033
nGLU,HB3,-0.02660269374082131,1.2226950497014033,0.0,0.0,1.2226950497014033,0.0,1.2226950497014033
nGLU,3HB,-0.02660269374082131,1.2226950497014033,0.0,0.0,1.2226950497014033,0.0,1.2226950497014033
nGLU,CG,-0.09905023756447522,10.015163672384602,0.0,0.0,10.015163672384602,0.0,10.015163672384602
nGLU,O,-0.4936088810641243,5.896641726187092,0.0,0.0,5.896641726187092,0.0,5.896641726187092
nGLU,HG,-0.02466326772027847,1.4569390858635207,0.0,0.0,1.4569390858635207,0.0,1.4569390858635207
nGLU,1HG,-0.02466326772027847,1.4569390858635207,0.0,0.0,1.4569390858635207,0.0,1.4569390858635207
nGLU,HG1,-0.02466326772027847,1.4569390858635207,0.0,0.0,1.4569390858635207,0.0,1.4569390858635207
nGLU,HG2,-0.02466326772027847,1.4569390858635207,0.0,0.0,1.4569390858635207,0.0,1.4569390858635207
nGLU,2HG,-0.02466326772027847,1.4569390858635207,0.0,0.0,1.4569390858635207,0.0,1.4569390858635207
nGLU,HG3,-0.02466326772027847,1.4569390858635207,0.0,0.0,1.4569390858635207,0.0,1.4569390858635207
nGLU,3HG,-0.02466326772027847,1.4569390858635207,0.0,0.0,1.4569390858635207,0.0,1.4569390858635207
nGLU,CD,0.8611457652221527,10.488690859478478,0.0,0.0,10.488690859478478,0.0,10.488690859478478
nGLU,OE,-0.8132157254412095,7.1543182281750495,0.0,0.0,7.1543182281750495,0.0,7.1543182281750495
nGLU,OE1,-0.8132157254412095,7.1543182281750495,0.0,0.0,7.1543182281750495,0.0,7.1543182281750495
nGLU,OE2,-0.8132157254412095,7.1543182281750495,0.0,0.0,7.1543182281750495,0.0,7.1543182281750495
nGLY,HN,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,H1,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,1H,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,HN1,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,HT1,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,H2,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,2H,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,HN2,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,HT2,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,H3,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,3H,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,HN3,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,HT3,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,H,0.308386883887221,1.3184816042913063,0.0,0.0,1.3184816042913063,0.0,1.3184816042913063
nGLY,N,-0.7623136882521943,7.279542696956845,0.0,0.0,7.279542696956845,0.0,7.279542696956845
nGLY,CA,0.013697885816429153,7.820791828951165,0.0,0.0,7.820791828951165,0.0,7.820791828951165
nGLY,C,0.5099296886341713,8.195165758130898,0.0,0.0,8.195165758130898,0.0,8.195165758130898
nGLY,HA,0.06005410825248961,1.7478429617599918,0.0,0.0,1.7478429617599918,0.0,1.7478429617599918
nGLY,HA2,0.06005410825248961,1.7478429617599918,0.0,0.0,1.7478429617599918,0.0,1.7478429617599918
nGLY,1HA,0.06005410825248961,1.7478429617599918,0.0,0.0,1.7478429617599918,0.0,1.7478429617599918
nGLY,HA1,0.06005410825248961,1.7478429617599918,0.0,0.0,1.7478429617599918,0.0,1.7478429617599918
nGLY,HA3,0.06005410825248961,1.7478429617599918,0.0,0.0,1.7478429617599918,0.0,1.7478429617599918
nGLY,2HA,0.06005410825248961,1.7478429617599918,0.0,0.0,1.7478429617599918,0.0,1.7478429617599918
nGLY,O,-0.49819587047782743,5.87041900241712,0.0,0.0,5.87041900241712,0.0,5.87041900241712
nHID,HN,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,HN,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,H1,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,H1,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,1H,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,1H,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,HN1,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,HN1,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,HT1,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,HT1,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,H2,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,H2,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,2H,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,2H,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,HN2,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,HN2,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,HT2,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,HT2,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,H3,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,H3,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,3H,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,3H,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,HN3,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,HN3,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,HT3,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,HT3,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,H,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHSD,H,0.3227189210977955,1.2394973743101354,0.0,0.0,1.2394973743101354,0.0,1.2394973743101354
nHID,N,-0.8381295138068323,7.533006208849486,0.0,0.0,7.533006208849486,0.0,7.533006208849486
nHSD,N,-0.8381295138068323,7.533006208849486,0.0,0.0,7.533006208849486,0.0,7.533006208849486
nHID,CA,0.25283122178227957,8.03076657249859,0.0,0.0,8.03076657249859,0.0,8.03076657249859
nHSD,CA,0.25283122178227957,8.03076657249859,0.0,0.0,8.03076657249859,0.0,8.03076657249859
nHID,HA,0.04493381316741571,1.6685980354681929,0.0,0.0,1.6685980354681929,0.0,1.6685980354681929
nHSD,HA,0.04493381316741571,1.6685980354681929,0.0,0.0,1.6685980354681929,0.0,1.6685980354681929
nHID,CB,-0.3288262591230906,8.068243408481829,0.0,0.0,8.068243408481829,0.0,8.068243408481829
nHSD,CB,-0.3288262591230906,8.068243408481829,0.0,0.0,8.068243408481829,0.0,8.068243408481829
nHID,C,0.46915604358135693,7.9746027115988065,0.0,0.0,7.9746027115988065,0.0,7.9746027115988065
nHSD,C,0.46915604358135693,7.9746027115988065,0.0,0.0,7.9746027115988065,0.0,7.9746027115988065
nHID,HB,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHSD,HB,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHID,HB1,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHSD,HB1,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHID,1HB,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHSD,1HB,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHID,HB2,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHSD,HB2,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHID,2HB,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHSD,2HB,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHID,HB3,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHSD,HB3,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHID,3HB,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHSD,3HB,0.11110357899880016,1.5605027650889507,0.0,0.0,1.5605027650889507,0.0,1.5605027650889507
nHID,CG,0.1082108572666333,8.396357613014091,0.0,0.0,8.396357613014091,0.0,8.396357613014091
nHSD,CG,0.1082108572666333,8.396357613014091,0.0,0.0,8.396357613014091,0.0,8.396357613014091
nHID,O,-0.4870438299244863,5.424505938633375,0.0,0.0,5.424505938633375,0.0,5.424505938633375
nHSD,O,-0.4870438299244863,5.424505938633375,0.0,0.0,5.424505938633375,0.0,5.424505938633375
nHID,ND,-0.3257777146842502,6.588130800463745,0.0,0.0,6.588130800463745,0.0,6.588130800463745
nHSD,ND,-0.3257777146842502,6.588130800463745,0.0,0.0,6.588130800463745,0.0,6.588130800463745
nHID,ND1,-0.3257777146842502,6.588130800463745,0.0,0.0,6.588130800463745,0.0,6.588130800463745
nHSD,ND1,-0.3257777146842502,6.588130800463745,0.0,0.0,6.588130800463745,0.0,6.588130800463745
nHID,CD,0.05901015638995362,8.420421108413471,0.0,0.0,8.420421108413471,0.0,8.420421108413471
nHSD,CD,0.05901015638995362,8.420421108413471,0.0,0.0,8.420421108413471,0.0,8.420421108413471
nHID,CD1,0.05901015638995362,8.420421108413471,0.0,0.0,8.420421108413471,0.0,8.420421108413471
nHSD,CD1,0.05901015638995362,8.420421108413471,0.0,0.0,8.420421108413471,0.0,8.420421108413471
nHID,CD2,0.05901015638995362,8.420421108413471,0.0,0.0,8.420421108413471,0.0,8.420421108413471
nHSD,CD2,0.05901015638995362,8.420421108413471,0.0,0.0,8.420421108413471,0.0,8.420421108413471
nHID,HD1,0.3114934175747939,1.3826401114149858,0.0,0.0,1.3826401114149858,0.0,1.3826401114149858
nHSD,HD1,0.3114934175747939,1.3826401114149858,0.0,0.0,1.3826401114149858,0.0,1.3826401114149858
nHID,CE,0.15201531545725527,8.342326159510828,0.0,0.0,8.342326159510828,0.0,8.342326159510828
nHSD,CE,0.15201531545725527,8.342326159510828,0.0,0.0,8.342326159510828,0.0,8.342326159510828
nHID,CE1,0.15201531545725527,8.342326159510828,0.0,0.0,8.342326159510828,0.0,8.342326159510828
nHSD,CE1,0.15201531545725527,8.342326159510828,0.0,0.0,8.342326159510828,0.0,8.342326159510828
nHID,CE2,0.15201531545725527,8.342326159510828,0.0,0.0,8.342326159510828,0.0,8.342326159510828
nHSD,CE2,0.15201531545725527,8.342326159510828,0.0,0.0,8.342326159510828,0.0,8.342326159510828
nHID,NE,-0.5212351195925039,7.5495649888798075,0.0,0.0,7.5495649888798075,0.0,7.5495649888798075
nHSD,NE,-0.5212351195925039,7.5495649888798075,0.0,0.0,7.5495649888798075,0.0,7.5495649888798075
nHID,NE2,-0.5212351195925039,7.5495649888798075,0.0,0.0,7.5495649888798075,0.0,7.5495649888798075
nHSD,NE2,-0.5212351195925039,7.5495649888798075,0.0,0.0,7.5495649888798075,0.0,7.5495649888798075
nHID,HD2,0.11160117553633746,1.8552547864382787,0.0,0.0,1.8552547864382787,0.0,1.8552547864382787
nHSD,HD2,0.11160117553633746,1.8552547864382787,0.0,0.0,1.8552547864382787,0.0,1.8552547864382787
nHID,HE,0.12411543618194633,2.0327668533294103,0.0,0.0,2.0327668533294103,0.0,2.0327668533294103
nHSD,HE,0.12411543618194633,2.0327668533294103,0.0,0.0,2.0327668533294103,0.0,2.0327668533294103
nHID,HE1,0.12411543618194633,2.0327668533294103,0.0,0.0,2.0327668533294103,0.0,2.0327668533294103
nHSD,HE1,0.12411543618194633,2.0327668533294103,0.0,0.0,2.0327668533294103,0.0,2.0327668533294103
nHID,HE2,0.12411543618194633,2.0327668533294103,0.0,0.0,2.0327668533294103,0.0,2.0327668533294103
nHSD,HE2,0.12411543618194633,2.0327668533294103,0.0,0.0,2.0327668533294103,0.0,2.0327668533294103
nHIE,HN,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,HN,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,H1,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,H1,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,1H,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,1H,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,HN1,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,HN1,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,HT1,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,HT1,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,H2,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,H2,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,2H,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,2H,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,HN2,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,HN2,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,HT2,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,HT2,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,H3,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,H3,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,3H,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,3H,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,HN3,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,HN3,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,HT3,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,HT3,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,H,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHSE,H,0.32361770133308465,1.2258088970340881,0.0,0.0,1.2258088970340881,0.0,1.2258088970340881
nHIE,N,-0.853686399880911,7.592423234323243,0.0,0.0,7.592423234323243,0.0,7.592423234323243
nHSE,N,-0.853686399880911,7.592423234323243,0.0,0.0,7.592423234323243,0.0,7.592423234323243
nHIE,CA,0.263020014379624,8.06042627556366,0.0,0.0,8.06042627556366,0.0,8.06042627556366
nHSE,CA,0.263020014379624,8.06042627556366,0.0,0.0,8.06042627556366,0.0,8.06042627556366
nHIE,HA,0.037089096123661285,1.7002656131062124,0.0,0.0,1.7002656131062124,0.0,1.7002656131062124
nHSE,HA,0.037089096123661285,1.7002656131062124,0.0,0.0,1.7002656131062124,0.0,1.7002656131062124
nHIE,CB,-0.2746396451543455,8.055541869395787,0.0,0.0,8.055541869395787,0.0,8.055541869395787
nHSE,CB,-0.2746396451543455,8.055541869395787,0.0,0.0,8.055541869395787,0.0,8.055541869395787
nHIE,C,0.44215862790916166,8.019142367344017,0.0,0.0,8.019142367344017,0.0,8.019142367344017
nHSE,C,0.44215862790916166,8.019142367344017,0.0,0.0,8.019142367344017,0.0,8.019142367344017
nHIE,HB,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHSE,HB,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHIE,HB1,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHSE,HB1,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHIE,1HB,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHSE,1HB,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHIE,HB2,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHSE,HB2,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHIE,2HB,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHSE,2HB,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHIE,HB3,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHSE,HB3,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHIE,3HB,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHSE,3HB,0.08447479054092337,1.5444950861445461,0.0,0.0,1.5444950861445461,0.0,1.5444950861445461
nHIE,CG,0.3797904456567774,8.336425962227413,0.0,0.0,8.336425962227413,0.0,8.336425962227413
nHSE,CG,0.3797904456567774,8.336425962227413,0.0,0.0,8.336425962227413,0.0,8.336425962227413
nHIE,O,-0.48224340569211166,5.528954744311562,0.0,0.0,5.528954744311562,0.0,5.528954744311562
nHSE,O,-0.48224340569211166,5.528954744311562,0.0,0.0,5.528954744311562,0.0,5.528954744311562
nHIE,ND,-0.47713465185955933,7.382533399296135,0.0,0.0,7.382533399296135,0.0,7.382533399296135
nHSE,ND,-0.47713465185955933,7.382533399296135,0.0,0.0,7.382533399296135,0.0,7.382533399296135
nHIE,ND1,-0.47713465185955933,7.382533399296135,0.0,0.0,7.382533399296135,0.0,7.382533399296135
nHSE,ND1,-0.47713465185955933,7.382533399296135,0.0,0.0,7.382533399296135,0.0,7.382533399296135
nHIE,CD,-0.33275280948540487,8.570832585927636,0.0,0.0,8.570832585927636,0.0,8.570832585927636
nHSE,CD,-0.33275280948540487,8.570832585927636,0.0,0.0,8.570832585927636,0.0,8.570832585927636
nHIE,CD1,-0.33275280948540487,8.570832585927636,0.0,0.0,8.570832585927636,0.0,8.570832585927636
nHSE,CD1,-0.33275280948540487,8.570832585927636,0.0,0.0,8.570832585927636,0.0,8.570832585927636
nHIE,CD2,-0.33275280948540487,8.570832585927636,0.0,0.0,8.570832585927636,0.0,8.570832585927636
nHSE,CD2,-0.33275280948540487,8.570832585927636,0.0,0.0,8.570832585927636,0.0,8.570832585927636
nHIE,CE,0.05888409282852428,8.236731574234888,0.0,0.0,8.236731574234888,0.0,8.236731574234888
nHSE,CE,0.05888409282852428,8.236731574234888,0.0,0.0,8.236731574234888,0.0,8.236731574234888
nHIE,CE1,0.05888409282852428,8.236731574234888,0.0,0.0,8.236731574234888,0.0,8.236731574234888
nHSE,CE1,0.05888409282852428,8.236731574234888,0.0,0.0,8.236731574234888,0.0,8.236731574234888
nHIE,CE2,0.05888409282852428,8.236731574234888,0.0,0.0,8.236731574234888,0.0,8.236731574234888
nHSE,CE2,0.05888409282852428,8.236731574234888,0.0,0.0,8.236731574234888,0.0,8.236731574234888
nHIE,NE,-0.205511483111424,6.6174650651758675,0.0,0.0,6.6174650651758675,0.0,6.6174650651758675
nHSE,NE,-0.205511483111424,6.6174650651758675,0.0,0.0,6.6174650651758675,0.0,6.6174650651758675
nHIE,NE2,-0.205511483111424,6.6174650651758675,0.0,0.0,6.6174650651758675,0.0,6.6174650651758675
nHSE,NE2,-0.205511483111424,6.6174650651758675,0.0,0.0,6.6174650651758675,0.0,6.6174650651758675
nHIE,HD,0.18129341579226574,1.903658641509661,0.0,0.0,1.903658641509661,0.0,1.903658641509661
nHSE,HD,0.18129341579226574,1.903658641509661,0.0,0.0,1.903658641509661,0.0,1.903658641509661
nHIE,HD1,0.18129341579226574,1.903658641509661,0.0,0.0,1.903658641509661,0.0,1.903658641509661
nHSE,HD1,0.18129341579226574,1.903658641509661,0.0,0.0,1.903658641509661,0.0,1.903658641509661
nHIE,HD2,0.18129341579226574,1.903658641509661,0.0,0.0,1.903658641509661,0.0,1.903658641509661
nHSE,HD2,0.18129341579226574,1.903658641509661,0.0,0.0,1.903658641509661,0.0,1.903658641509661
nHIE,HE1,0.14355215765666662,2.051254310802158,0.0,0.0,2.051254310802158,0.0,2.051254310802158
nHSE,HE1,0.14355215765666662,2.051254310802158,0.0,0.0,2.051254310802158,0.0,2.051254310802158
nHIE,HE2,0.30399556108905923,1.6308079229680208,0.0,0.0,1.6308079229680208,0.0,1.6308079229680208
nHSE,HE2,0.30399556108905923,1.6308079229680208,0.0,0.0,1.6308079229680208,0.0,1.6308079229680208
nHIE,HNE2,0.30399556108905923,1.6308079229680208,0.0,0.0,1.6308079229680208,0.0,1.6308079229680208
nHSE,HNE2,0.30399556108905923,1.6308079229680208,0.0,0.0,1.6308079229680208,0.0,1.6308079229680208
nHIS,HN,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,HN,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,HN,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,H1,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,H1,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,H1,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,1H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,1H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,1H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,HN1,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,HN1,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,HN1,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,HT1,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,HT1,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,HT1,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,H2,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,H2,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,H2,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,2H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,2H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,2H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,HN2,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,HN2,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,HN2,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,HT2,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,HT2,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,HT2,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,H3,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,H3,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,H3,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,3H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,3H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,3H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,HN3,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,HN3,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,HN3,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,HT3,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,HT3,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,HT3,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIP,H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHSP,H,0.32264936192520927,1.5984105093241845,0.0,0.0,1.5984105093241845,0.0,1.5984105093241845
nHIS,N,-0.7484847141761051,7.4295113828226285,0.0,0.0,7.4295113828226285,0.0,7.4295113828226285
nHIP,N,-0.7484847141761051,7.4295113828226285,0.0,0.0,7.4295113828226285,0.0,7.4295113828226285
nHSP,N,-0.7484847141761051,7.4295113828226285,0.0,0.0,7.4295113828226285,0.0,7.4295113828226285
nHIS,CA,0.10004332001445318,8.21947141922172,0.0,0.0,8.21947141922172,0.0,8.21947141922172
nHIP,CA,0.10004332001445318,8.21947141922172,0.0,0.0,8.21947141922172,0.0,8.21947141922172
nHSP,CA,0.10004332001445318,8.21947141922172,0.0,0.0,8.21947141922172,0.0,8.21947141922172
nHIS,HA,0.10172823718521107,1.915177330685652,0.0,0.0,1.915177330685652,0.0,1.915177330685652
nHIP,HA,0.10172823718521107,1.915177330685652,0.0,0.0,1.915177330685652,0.0,1.915177330685652
nHSP,HA,0.10172823718521107,1.915177330685652,0.0,0.0,1.915177330685652,0.0,1.915177330685652
nHIS,CB,-0.37721249273820456,8.139166238689095,0.0,0.0,8.139166238689095,0.0,8.139166238689095
nHIP,CB,-0.37721249273820456,8.139166238689095,0.0,0.0,8.139166238689095,0.0,8.139166238689095
nHSP,CB,-0.37721249273820456,8.139166238689095,0.0,0.0,8.139166238689095,0.0,8.139166238689095
nHIS,C,0.5838148425847075,8.116896734843912,0.0,0.0,8.116896734843912,0.0,8.116896734843912
nHIP,C,0.5838148425847075,8.116896734843912,0.0,0.0,8.116896734843912,0.0,8.116896734843912
nHSP,C,0.5838148425847075,8.116896734843912,0.0,0.0,8.116896734843912,0.0,8.116896734843912
nHIS,HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIP,HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHSP,HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIS,HB1,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIP,HB1,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHSP,HB1,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIS,1HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIP,1HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHSP,1HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIS,HB2,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIP,HB2,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHSP,HB2,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIS,2HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIP,2HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHSP,2HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIS,HB3,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIP,HB3,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHSP,HB3,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIS,3HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIP,3HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHSP,3HB,0.17635616035075782,1.9486490697984105,0.0,0.0,1.9486490697984105,0.0,1.9486490697984105
nHIS,CG,0.13846050418864358,7.995831613940105,0.0,0.0,7.995831613940105,0.0,7.995831613940105
nHIP,CG,0.13846050418864358,7.995831613940105,0.0,0.0,7.995831613940105,0.0,7.995831613940105
nHSP,CG,0.13846050418864358,7.995831613940105,0.0,0.0,7.995831613940105,0.0,7.995831613940105
nHIS,O,-0.49976804801301333,5.610767752121112,0.0,0.0,5.610767752121112,0.0,5.610767752121112
nHIP,O,-0.49976804801301333,5.610767752121112,0.0,0.0,5.610767752121112,0.0,5.610767752121112
nHSP,O,-0.49976804801301333,5.610767752121112,0.0,0.0,5.610767752121112,0.0,5.610767752121112
nHIS,ND,-0.1950215961925795,6.102788820409664,0.0,0.0,6.102788820409664,0.0,6.102788820409664
nHIP,ND,-0.1950215961925795,6.102788820409664,0.0,0.0,6.102788820409664,0.0,6.102788820409664
nHSP,ND,-0.1950215961925795,6.102788820409664,0.0,0.0,6.102788820409664,0.0,6.102788820409664
nHIS,ND1,-0.1950215961925795,6.102788820409664,0.0,0.0,6.102788820409664,0.0,6.102788820409664
nHIP,ND1,-0.1950215961925795,6.102788820409664,0.0,0.0,6.102788820409664,0.0,6.102788820409664
nHSP,ND1,-0.1950215961925795,6.102788820409664,0.0,0.0,6.102788820409664,0.0,6.102788820409664
nHIS,CD,-0.09974844058279232,7.700996879698892,0.0,0.0,7.700996879698892,0.0,7.700996879698892
nHIP,CD,-0.09974844058279232,7.700996879698892,0.0,0.0,7.700996879698892,0.0,7.700996879698892
nHSP,CD,-0.09974844058279232,7.700996879698892,0.0,0.0,7.700996879698892,0.0,7.700996879698892
nHIS,CD1,-0.09974844058279232,7.700996879698892,0.0,0.0,7.700996879698892,0.0,7.700996879698892
nHIP,CD1,-0.09974844058279232,7.700996879698892,0.0,0.0,7.700996879698892,0.0,7.700996879698892
nHSP,CD1,-0.09974844058279232,7.700996879698892,0.0,0.0,7.700996879698892,0.0,7.700996879698892
nHIS,CD2,-0.09974844058279232,7.700996879698892,0.0,0.0,7.700996879698892,0.0,7.700996879698892
nHIP,CD2,-0.09974844058279232,7.700996879698892,0.0,0.0,7.700996879698892,0.0,7.700996879698892
nHSP,CD2,-0.09974844058279232,7.700996879698892,0.0,0.0,7.700996879698892,0.0,7.700996879698892
nHIS,HD1,0.35566660515908316,1.35304106695727,0.0,0.0,1.35304106695727,0.0,1.35304106695727
nHIP,HD1,0.35566660515908316,1.35304106695727,0.0,0.0,1.35304106695727,0.0,1.35304106695727
nHSP,HD1,0.35566660515908316,1.35304106695727,0.0,0.0,1.35304106695727,0.0,1.35304106695727
nHIS,CE,0.013559411402645513,7.351500636019505,0.0,0.0,7.351500636019505,0.0,7.351500636019505
nHIP,CE,0.013559411402645513,7.351500636019505,0.0,0.0,7.351500636019505,0.0,7.351500636019505
nHSP,CE,0.013559411402645513,7.351500636019505,0.0,0.0,7.351500636019505,0.0,7.351500636019505
nHIS,CE1,0.013559411402645513,7.351500636019505,0.0,0.0,7.351500636019505,0.0,7.351500636019505
nHIP,CE1,0.013559411402645513,7.351500636019505,0.0,0.0,7.351500636019505,0.0,7.351500636019505
nHSP,CE1,0.013559411402645513,7.351500636019505,0.0,0.0,7.351500636019505,0.0,7.351500636019505
nHIS,CE2,0.013559411402645513,7.351500636019505,0.0,0.0,7.351500636019505,0.0,7.351500636019505
nHIP,CE2,0.013559411402645513,7.351500636019505,0.0,0.0,7.351500636019505,0.0,7.351500636019505
nHSP,CE2,0.013559411402645513,7.351500636019505,0.0,0.0,7.351500636019505,0.0,7.351500636019505
nHIS,NE,-0.19460728894167598,5.968564447233703,0.0,0.0,5.968564447233703,0.0,5.968564447233703
nHIP,NE,-0.19460728894167598,5.968564447233703,0.0,0.0,5.968564447233703,0.0,5.968564447233703
nHSP,NE,-0.19460728894167598,5.968564447233703,0.0,0.0,5.968564447233703,0.0,5.968564447233703
nHIS,NE2,-0.19460728894167598,5.968564447233703,0.0,0.0,5.968564447233703,0.0,5.968564447233703
nHIP,NE2,-0.19460728894167598,5.968564447233703,0.0,0.0,5.968564447233703,0.0,5.968564447233703
nHSP,NE2,-0.19460728894167598,5.968564447233703,0.0,0.0,5.968564447233703,0.0,5.968564447233703
nHIS,HD2,0.2122446829060703,1.8290685824842816,0.0,0.0,1.8290685824842816,0.0,1.8290685824842816
nHIP,HD2,0.2122446829060703,1.8290685824842816,0.0,0.0,1.8290685824842816,0.0,1.8290685824842816
nHSP,HD2,0.2122446829060703,1.8290685824842816,0.0,0.0,1.8290685824842816,0.0,1.8290685824842816
nHIS,HE1,0.23266919990872578,1.9748326076527458,0.0,0.0,1.9748326076527458,0.0,1.9748326076527458
nHIP,HE1,0.23266919990872578,1.9748326076527458,0.0,0.0,1.9748326076527458,0.0,1.9748326076527458
nHSP,HE1,0.23266919990872578,1.9748326076527458,0.0,0.0,1.9748326076527458,0.0,1.9748326076527458
nHIS,HE2,0.37864473274289645,1.5393625824619594,0.0,0.0,1.5393625824619594,0.0,1.5393625824619594
nHIP,HE2,0.37864473274289645,1.5393625824619594,0.0,0.0,1.5393625824619594,0.0,1.5393625824619594
nHSP,HE2,0.37864473274289645,1.5393625824619594,0.0,0.0,1.5393625824619594,0.0,1.5393625824619594
nHIS,HNE2,0.37864473274289645,1.5393625824619594,0.0,0.0,1.5393625824619594,0.0,1.5393625824619594
nHIP,HNE2,0.37864473274289645,1.5393625824619594,0.0,0.0,1.5393625824619594,0.0,1.5393625824619594
nHSP,HNE2,0.37864473274289645,1.5393625824619594,0.0,0.0,1.5393625824619594,0.0,1.5393625824619594
nILE,HN,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,H1,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,1H,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,HN1,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,HT1,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,H2,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,2H,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,HN2,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,HT2,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,H3,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,3H,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,HN3,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,HT3,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,H,0.31626754028736975,1.3903847635845752,0.0,0.0,1.3903847635845752,0.0,1.3903847635845752
nILE,N,-0.8118152818985367,7.070916576371323,0.0,0.0,7.070916576371323,0.0,7.070916576371323
nILE,CA,0.01551679990621078,8.143345883779094,0.0,0.0,8.143345883779094,0.0,8.143345883779094
nILE,HA,0.08750158261661138,1.8313815423364577,0.0,0.0,1.8313815423364577,0.0,1.8313815423364577
nILE,CB,0.14425429094993183,7.766061000586801,0.0,0.0,7.766061000586801,0.0,7.766061000586801
nILE,C,0.5038642460233661,8.240876972708598,0.0,0.0,8.240876972708598,0.0,8.240876972708598
nILE,HB,0.020975593934591915,1.8196446623352494,0.0,0.0,1.8196446623352494,0.0,1.8196446623352494
nILE,HB1,0.020975593934591915,1.8196446623352494,0.0,0.0,1.8196446623352494,0.0,1.8196446623352494
nILE,1HB,0.020975593934591915,1.8196446623352494,0.0,0.0,1.8196446623352494,0.0,1.8196446623352494
nILE,HB2,0.020975593934591915,1.8196446623352494,0.0,0.0,1.8196446623352494,0.0,1.8196446623352494
nILE,2HB,0.020975593934591915,1.8196446623352494,0.0,0.0,1.8196446623352494,0.0,1.8196446623352494
nILE,HB3,0.020975593934591915,1.8196446623352494,0.0,0.0,1.8196446623352494,0.0,1.8196446623352494
nILE,3HB,0.020975593934591915,1.8196446623352494,0.0,0.0,1.8196446623352494,0.0,1.8196446623352494
nILE,CG2,-0.4143073937556318,7.353999887880343,0.0,0.0,7.353999887880343,0.0,7.353999887880343
nILE,CG1,0.052889388022145524,7.671879286561753,0.0,0.0,7.671879286561753,0.0,7.671879286561753
nILE,O,-0.4977218366303943,5.8229924028008355,0.0,0.0,5.8229924028008355,0.0,5.8229924028008355
nILE,HG2,0.10408396356886743,1.7150655300033935,0.0,0.0,1.7150655300033935,0.0,1.7150655300033935
nILE,HG21,0.10408396356886743,1.7150655300033935,0.0,0.0,1.7150655300033935,0.0,1.7150655300033935
nILE,1HG2,0.10408396356886743,1.7150655300033935,0.0,0.0,1.7150655300033935,0.0,1.7150655300033935
nILE,HG21,0.10408396356886743,1.7150655300033935,0.0,0.0,1.7150655300033935,0.0,1.7150655300033935
nILE,HG22,0.10408396356886743,1.7150655300033935,0.0,0.0,1.7150655300033935,0.0,1.7150655300033935
nILE,2HG2,0.10408396356886743,1.7150655300033935,0.0,0.0,1.7150655300033935,0.0,1.7150655300033935
nILE,HG23,0.10408396356886743,1.7150655300033935,0.0,0.0,1.7150655300033935,0.0,1.7150655300033935
nILE,3HG2,0.10408396356886743,1.7150655300033935,0.0,0.0,1.7150655300033935,0.0,1.7150655300033935
nILE,HG1,0.0074865132742624576,1.711454124657194,0.0,0.0,1.711454124657194,0.0,1.711454124657194
nILE,HG12,0.0074865132742624576,1.711454124657194,0.0,0.0,1.711454124657194,0.0,1.711454124657194
nILE,1HG1,0.0074865132742624576,1.711454124657194,0.0,0.0,1.711454124657194,0.0,1.711454124657194
nILE,HG11,0.0074865132742624576,1.711454124657194,0.0,0.0,1.711454124657194,0.0,1.711454124657194
nILE,HG13,0.0074865132742624576,1.711454124657194,0.0,0.0,1.711454124657194,0.0,1.711454124657194
nILE,2HG1,0.0074865132742624576,1.711454124657194,0.0,0.0,1.711454124657194,0.0,1.711454124657194
nILE,CD,-0.25755883902581816,7.79490225176865,0.0,0.0,7.79490225176865,0.0,7.79490225176865
nILE,CD1,-0.25755883902581816,7.79490225176865,0.0,0.0,7.79490225176865,0.0,7.79490225176865
nILE,CD2,-0.25755883902581816,7.79490225176865,0.0,0.0,7.79490225176865,0.0,7.79490225176865
nILE,HD,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nILE,HD11,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nILE,1HD1,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nILE,HD12,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nILE,2HD1,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nILE,HD13,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nILE,3HD1,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nILE,HD1,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nILE,HD2,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nILE,HD3,0.06554715067588561,1.749911792814155,0.0,0.0,1.749911792814155,0.0,1.749911792814155
nLEU,HN,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,H1,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,1H,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,HN1,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,HT1,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,H2,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,2H,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,HN2,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,HT2,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,H3,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,3H,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,HN3,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,HT3,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,H,0.317727173983702,1.4574763141160822,0.0,0.0,1.4574763141160822,0.0,1.4574763141160822
nLEU,N,-0.819051460405004,7.063233604058798,0.0,0.0,7.063233604058798,0.0,7.063233604058798
nLEU,CA,0.11323776476667491,8.177410701198191,0.0,0.0,8.177410701198191,0.0,8.177410701198191
nLEU,HA,0.085186567069416,1.819029220566996,0.0,0.0,1.819029220566996,0.0,1.819029220566996
nLEU,CB,-0.2754708639182125,7.920403639293148,0.0,0.0,7.920403639293148,0.0,7.920403639293148
nLEU,C,0.4809112769430591,8.523053500862883,0.0,0.0,8.523053500862883,0.0,8.523053500862883
nLEU,HB,0.07714213377551071,1.7542307975860063,0.0,0.0,1.7542307975860063,0.0,1.7542307975860063
nLEU,HB1,0.07714213377551071,1.7542307975860063,0.0,0.0,1.7542307975860063,0.0,1.7542307975860063
nLEU,1HB,0.07714213377551071,1.7542307975860063,0.0,0.0,1.7542307975860063,0.0,1.7542307975860063
nLEU,HB2,0.07714213377551071,1.7542307975860063,0.0,0.0,1.7542307975860063,0.0,1.7542307975860063
nLEU,2HB,0.07714213377551071,1.7542307975860063,0.0,0.0,1.7542307975860063,0.0,1.7542307975860063
nLEU,HB3,0.07714213377551071,1.7542307975860063,0.0,0.0,1.7542307975860063,0.0,1.7542307975860063
nLEU,3HB,0.07714213377551071,1.7542307975860063,0.0,0.0,1.7542307975860063,0.0,1.7542307975860063
nLEU,CG,0.4744733647150531,7.66927953657273,0.0,0.0,7.66927953657273,0.0,7.66927953657273
nLEU,O,-0.49881339307838346,5.881938241332673,0.0,0.0,5.881938241332673,0.0,5.881938241332673
nLEU,HG,-0.03732272327792072,1.8626514475960292,0.0,0.0,1.8626514475960292,0.0,1.8626514475960292
nLEU,1HG,-0.03732272327792072,1.8626514475960292,0.0,0.0,1.8626514475960292,0.0,1.8626514475960292
nLEU,HG1,-0.03732272327792072,1.8626514475960292,0.0,0.0,1.8626514475960292,0.0,1.8626514475960292
nLEU,HG2,-0.03732272327792072,1.8626514475960292,0.0,0.0,1.8626514475960292,0.0,1.8626514475960292
nLEU,2HG,-0.03732272327792072,1.8626514475960292,0.0,0.0,1.8626514475960292,0.0,1.8626514475960292
nLEU,HG3,-0.03732272327792072,1.8626514475960292,0.0,0.0,1.8626514475960292,0.0,1.8626514475960292
nLEU,3HG,-0.03732272327792072,1.8626514475960292,0.0,0.0,1.8626514475960292,0.0,1.8626514475960292
nLEU,CD,-0.5075417686142427,7.702068648682772,0.0,0.0,7.702068648682772,0.0,7.702068648682772
nLEU,CD1,-0.5075417686142427,7.702068648682772,0.0,0.0,7.702068648682772,0.0,7.702068648682772
nLEU,CD2,-0.5075417686142427,7.702068648682772,0.0,0.0,7.702068648682772,0.0,7.702068648682772
nLEU,HD,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,HD11,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,1HD1,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,HD12,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,2HD1,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,HD13,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,3HD1,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,HD21,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,1HD2,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,HD22,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,2HD2,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,HD23,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLEU,3HD2,0.11703239814922961,1.6297052360529842,0.0,0.0,1.6297052360529842,0.0,1.6297052360529842
nLYS,HN,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,H1,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,1H,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,HN1,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,HT1,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,H2,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,2H,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,HN2,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,HT2,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,H3,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,3H,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,HN3,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,HT3,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,H,0.3198359665922908,1.2706406844552798,0.0,0.0,1.2706406844552798,0.0,1.2706406844552798
nLYS,N,-0.7688262585761928,6.933262886671191,0.0,0.0,6.933262886671191,0.0,6.933262886671191
nLYS,CA,0.08678464626863895,8.179430500104129,0.0,0.0,8.179430500104129,0.0,8.179430500104129
nLYS,HA,0.09225652002355009,1.7822552982522717,0.0,0.0,1.7822552982522717,0.0,1.7822552982522717
nLYS,CB,-0.2541999058344351,7.967038373456033,0.0,0.0,7.967038373456033,0.0,7.967038373456033
nLYS,C,0.5507397289496048,8.466870338913852,0.0,0.0,8.466870338913852,0.0,8.466870338913852
nLYS,HB,0.10682188572049962,1.4997141246895216,0.0,0.0,1.4997141246895216,0.0,1.4997141246895216
nLYS,HB1,0.10682188572049962,1.4997141246895216,0.0,0.0,1.4997141246895216,0.0,1.4997141246895216
nLYS,1HB,0.10682188572049962,1.4997141246895216,0.0,0.0,1.4997141246895216,0.0,1.4997141246895216
nLYS,HB2,0.10682188572049962,1.4997141246895216,0.0,0.0,1.4997141246895216,0.0,1.4997141246895216
nLYS,2HB,0.10682188572049962,1.4997141246895216,0.0,0.0,1.4997141246895216,0.0,1.4997141246895216
nLYS,HB3,0.10682188572049962,1.4997141246895216,0.0,0.0,1.4997141246895216,0.0,1.4997141246895216
nLYS,3HB,0.10682188572049962,1.4997141246895216,0.0,0.0,1.4997141246895216,0.0,1.4997141246895216
nLYS,CG,-0.058431152092903296,7.919434359809544,0.0,0.0,7.919434359809544,0.0,7.919434359809544
nLYS,O,-0.5112384669235477,5.796921884169657,0.0,0.0,5.796921884169657,0.0,5.796921884169657
nLYS,HG,0.06771572807586483,1.4868580811681529,0.0,0.0,1.4868580811681529,0.0,1.4868580811681529
nLYS,1HG,0.06771572807586483,1.4868580811681529,0.0,0.0,1.4868580811681529,0.0,1.4868580811681529
nLYS,HG1,0.06771572807586483,1.4868580811681529,0.0,0.0,1.4868580811681529,0.0,1.4868580811681529
nLYS,HG2,0.06771572807586483,1.4868580811681529,0.0,0.0,1.4868580811681529,0.0,1.4868580811681529
nLYS,2HG,0.06771572807586483,1.4868580811681529,0.0,0.0,1.4868580811681529,0.0,1.4868580811681529
nLYS,HG3,0.06771572807586483,1.4868580811681529,0.0,0.0,1.4868580811681529,0.0,1.4868580811681529
nLYS,3HG,0.06771572807586483,1.4868580811681529,0.0,0.0,1.4868580811681529,0.0,1.4868580811681529
nLYS,CD,-0.1941134127497231,7.681062958938136,0.0,0.0,7.681062958938136,0.0,7.681062958938136
nLYS,HD,0.11480895007994883,1.5802085193060011,0.0,0.0,1.5802085193060011,0.0,1.5802085193060011
nLYS,1HD,0.11480895007994883,1.5802085193060011,0.0,0.0,1.5802085193060011,0.0,1.5802085193060011
nLYS,HD1,0.11480895007994883,1.5802085193060011,0.0,0.0,1.5802085193060011,0.0,1.5802085193060011
nLYS,HD2,0.11480895007994883,1.5802085193060011,0.0,0.0,1.5802085193060011,0.0,1.5802085193060011
nLYS,2HD,0.11480895007994883,1.5802085193060011,0.0,0.0,1.5802085193060011,0.0,1.5802085193060011
nLYS,HD3,0.11480895007994883,1.5802085193060011,0.0,0.0,1.5802085193060011,0.0,1.5802085193060011
nLYS,3HD,0.11480895007994883,1.5802085193060011,0.0,0.0,1.5802085193060011,0.0,1.5802085193060011
nLYS,CE,-0.027524664614063905,7.22814488420012,0.0,0.0,7.22814488420012,0.0,7.22814488420012
nLYS,HE,0.1405891335533995,1.4940399664860764,0.0,0.0,1.4940399664860764,0.0,1.4940399664860764
nLYS,HE2,0.1405891335533995,1.4940399664860764,0.0,0.0,1.4940399664860764,0.0,1.4940399664860764
nLYS,1HE,0.1405891335533995,1.4940399664860764,0.0,0.0,1.4940399664860764,0.0,1.4940399664860764
nLYS,HE1,0.1405891335533995,1.4940399664860764,0.0,0.0,1.4940399664860764,0.0,1.4940399664860764
nLYS,HE3,0.1405891335533995,1.4940399664860764,0.0,0.0,1.4940399664860764,0.0,1.4940399664860764
nLYS,2HE,0.1405891335533995,1.4940399664860764,0.0,0.0,1.4940399664860764,0.0,1.4940399664860764
nLYS,NZ,-0.5291456297977788,5.287970415484408,0.0,0.0,5.287970415484408,0.0,5.287970415484408
nLYS,HZ,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nLYS,HZ1,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nLYS,1HZ,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nLYS,HNZ1,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nLYS,HZ2,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nLYS,2HZ,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nLYS,HNZ2,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nLYS,HZ3,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nLYS,3HZ,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nLYS,HNZ3,0.37138508910094786,0.9200998908498762,0.0,0.0,0.9200998908498762,0.0,0.9200998908498762
nMET,HN,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,H1,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,1H,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,HN1,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,HT1,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,H2,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,2H,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,HN2,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,HT2,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,H3,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,3H,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,HN3,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,HT3,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,H,0.3159855495697236,1.2015503320020562,0.0,0.0,1.2015503320020562,0.0,1.2015503320020562
nMET,N,-0.821287279380315,6.94011115896445,0.0,0.0,6.94011115896445,0.0,6.94011115896445
nMET,CA,0.1749509112896324,8.348886801951817,0.0,0.0,8.348886801951817,0.0,8.348886801951817
nMET,HA,0.05311094856254309,1.7224412860085496,0.0,0.0,1.7224412860085496,0.0,1.7224412860085496
nMET,CB,-0.02139589206367259,8.336887854438194,0.0,0.0,8.336887854438194,0.0,8.336887854438194
nMET,C,0.4661358293394059,8.465399776967702,0.0,0.0,8.465399776967702,0.0,8.465399776967702
nMET,HB,0.04014445966302798,1.3326649493377765,0.0,0.0,1.3326649493377765,0.0,1.3326649493377765
nMET,HB1,0.04014445966302798,1.3326649493377765,0.0,0.0,1.3326649493377765,0.0,1.3326649493377765
nMET,1HB,0.04014445966302798,1.3326649493377765,0.0,0.0,1.3326649493377765,0.0,1.3326649493377765
nMET,HB2,0.04014445966302798,1.3326649493377765,0.0,0.0,1.3326649493377765,0.0,1.3326649493377765
nMET,2HB,0.04014445966302798,1.3326649493377765,0.0,0.0,1.3326649493377765,0.0,1.3326649493377765
nMET,HB3,0.04014445966302798,1.3326649493377765,0.0,0.0,1.3326649493377765,0.0,1.3326649493377765
nMET,3HB,0.04014445966302798,1.3326649493377765,0.0,0.0,1.3326649493377765,0.0,1.3326649493377765
nMET,CG,-0.2372630240419394,9.33797768520397,0.0,0.0,9.33797768520397,0.0,9.33797768520397
nMET,O,-0.4974878332014378,5.7658679569471945,0.0,0.0,5.7658679569471945,0.0,5.7658679569471945
nMET,HG,0.1302829605112632,1.447914673517009,0.0,0.0,1.447914673517009,0.0,1.447914673517009
nMET,1HG,0.1302829605112632,1.447914673517009,0.0,0.0,1.447914673517009,0.0,1.447914673517009
nMET,HG1,0.1302829605112632,1.447914673517009,0.0,0.0,1.447914673517009,0.0,1.447914673517009
nMET,HG2,0.1302829605112632,1.447914673517009,0.0,0.0,1.447914673517009,0.0,1.447914673517009
nMET,2HG,0.1302829605112632,1.447914673517009,0.0,0.0,1.447914673517009,0.0,1.447914673517009
nMET,HG3,0.1302829605112632,1.447914673517009,0.0,0.0,1.447914673517009,0.0,1.447914673517009
nMET,3HG,0.1302829605112632,1.447914673517009,0.0,0.0,1.447914673517009,0.0,1.447914673517009
nMET,SD,-0.13214402841801817,18.797651154480466,0.0,0.0,18.797651154480466,0.0,18.797651154480466
nMET,CE,-0.5247903382316179,8.698079059107085,0.0,0.0,8.698079059107085,0.0,8.698079059107085
nMET,HE,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nMET,HE1,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nMET,1HE,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nMET,HE1,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nMET,HE2,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nMET,2HE,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nMET,HE2,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nMET,HE3,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nMET,3HE,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nMET,HE3,0.18911492221913004,1.478863537938858,0.0,0.0,1.478863537938858,0.0,1.478863537938858
nPHE,HN,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,H1,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,1H,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,HN1,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,HT1,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,H2,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,2H,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,HN2,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,HT2,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,H3,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,3H,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,HN3,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,HT3,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,H,0.32303472589386384,1.281416165094535,0.0,0.0,1.281416165094535,0.0,1.281416165094535
nPHE,N,-0.8447212707355434,7.664534560243384,0.0,0.0,7.664534560243384,0.0,7.664534560243384
nPHE,CA,0.24779523649354504,8.078377439677853,0.0,0.0,8.078377439677853,0.0,8.078377439677853
nPHE,HA,0.045220842230905396,1.6881645658970694,0.0,0.0,1.6881645658970694,0.0,1.6881645658970694
nPHE,CB,-0.282544829338727,8.225390754947654,0.0,0.0,8.225390754947654,0.0,8.225390754947654
nPHE,C,0.4453611032994759,7.8987952941397594,0.0,0.0,7.8987952941397594,0.0,7.8987952941397594
nPHE,HB,0.09028295704782302,1.5910028126837659,0.0,0.0,1.5910028126837659,0.0,1.5910028126837659
nPHE,HB1,0.09028295704782302,1.5910028126837659,0.0,0.0,1.5910028126837659,0.0,1.5910028126837659
nPHE,1HB,0.09028295704782302,1.5910028126837659,0.0,0.0,1.5910028126837659,0.0,1.5910028126837659
nPHE,HB2,0.09028295704782302,1.5910028126837659,0.0,0.0,1.5910028126837659,0.0,1.5910028126837659
nPHE,2HB,0.09028295704782302,1.5910028126837659,0.0,0.0,1.5910028126837659,0.0,1.5910028126837659
nPHE,HB3,0.09028295704782302,1.5910028126837659,0.0,0.0,1.5910028126837659,0.0,1.5910028126837659
nPHE,3HB,0.09028295704782302,1.5910028126837659,0.0,0.0,1.5910028126837659,0.0,1.5910028126837659
nPHE,CG,0.14888559810425459,8.828055058804985,0.0,0.0,8.828055058804985,0.0,8.828055058804985
nPHE,O,-0.4742416258146016,5.441229707867161,0.0,0.0,5.441229707867161,0.0,5.441229707867161
nPHE,CD,-0.15914927483641902,8.730066647923527,0.0,0.0,8.730066647923527,0.0,8.730066647923527
nPHE,CD1,-0.15914927483641902,8.730066647923527,0.0,0.0,8.730066647923527,0.0,8.730066647923527
nPHE,CD2,-0.15914927483641902,8.730066647923527,0.0,0.0,8.730066647923527,0.0,8.730066647923527
nPHE,HD,0.1268807070418559,1.720646839269422,0.0,0.0,1.720646839269422,0.0,1.720646839269422
nPHE,HD1,0.1268807070418559,1.720646839269422,0.0,0.0,1.720646839269422,0.0,1.720646839269422
nPHE,HD2,0.1268807070418559,1.720646839269422,0.0,0.0,1.720646839269422,0.0,1.720646839269422
nPHE,CE,-0.1598006622228896,8.849776798233409,0.0,0.0,8.849776798233409,0.0,8.849776798233409
nPHE,CE1,-0.1598006622228896,8.849776798233409,0.0,0.0,8.849776798233409,0.0,8.849776798233409
nPHE,CE2,-0.1598006622228896,8.849776798233409,0.0,0.0,8.849776798233409,0.0,8.849776798233409
nPHE,HE,0.1352288835568421,1.9848969522491935,0.0,0.0,1.9848969522491935,0.0,1.9848969522491935
nPHE,HE1,0.1352288835568421,1.9848969522491935,0.0,0.0,1.9848969522491935,0.0,1.9848969522491935
nPHE,HE2,0.1352288835568421,1.9848969522491935,0.0,0.0,1.9848969522491935,0.0,1.9848969522491935
nPHE,CZ,-0.13069869899553985,8.902852199333765,0.0,0.0,8.902852199333765,0.0,8.902852199333765
nPHE,HZ,0.1319889717940784,2.220797616190884,0.0,0.0,2.220797616190884,0.0,2.220797616190884
nPRO,HN,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,H1,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,1H,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,HN1,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,HT1,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,H2,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,2H,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,HN2,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,HT2,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,H,0.31432044520402475,1.3994847370422203,0.0,0.0,1.3994847370422203,0.0,1.3994847370422203
nPRO,N,-0.6394012231039444,7.293090771371469,0.0,0.0,7.293090771371469,0.0,7.293090771371469
nPRO,CD,0.15793682238319742,7.177830983606256,0.0,0.0,7.177830983606256,0.0,7.177830983606256
nPRO,CA,0.077930533931753,7.9907224298188995,0.0,0.0,7.9907224298188995,0.0,7.9907224298188995
nPRO,HD,0.01781379625849204,1.7960613859309413,0.0,0.0,1.7960613859309413,0.0,1.7960613859309413
nPRO,HD2,0.01781379625849204,1.7960613859309413,0.0,0.0,1.7960613859309413,0.0,1.7960613859309413
nPRO,1HD,0.01781379625849204,1.7960613859309413,0.0,0.0,1.7960613859309413,0.0,1.7960613859309413
nPRO,HD2,0.01781379625849204,1.7960613859309413,0.0,0.0,1.7960613859309413,0.0,1.7960613859309413
nPRO,HD3,0.01781379625849204,1.7960613859309413,0.0,0.0,1.7960613859309413,0.0,1.7960613859309413
nPRO,2HD,0.01781379625849204,1.7960613859309413,0.0,0.0,1.7960613859309413,0.0,1.7960613859309413
nPRO,HD1,0.01781379625849204,1.7960613859309413,0.0,0.0,1.7960613859309413,0.0,1.7960613859309413
nPRO,CG,-0.13228216418056077,7.229641303744686,0.0,0.0,7.229641303744686,0.0,7.229641303744686
nPRO,CB,-0.032559571507024765,7.20163560189931,0.0,0.0,7.20163560189931,0.0,7.20163560189931
nPRO,HA,0.04413918897931148,1.8990756461702882,0.0,0.0,1.8990756461702882,0.0,1.8990756461702882
nPRO,C,0.4800940520574116,8.20392521567906,0.0,0.0,8.20392521567906,0.0,8.20392521567906
nPRO,HG,0.05875066778875499,1.7840821081450604,0.0,0.0,1.7840821081450604,0.0,1.7840821081450604
nPRO,1HG,0.05875066778875499,1.7840821081450604,0.0,0.0,1.7840821081450604,0.0,1.7840821081450604
nPRO,HG1,0.05875066778875499,1.7840821081450604,0.0,0.0,1.7840821081450604,0.0,1.7840821081450604
nPRO,HG2,0.05875066778875499,1.7840821081450604,0.0,0.0,1.7840821081450604,0.0,1.7840821081450604
nPRO,2HG,0.05875066778875499,1.7840821081450604,0.0,0.0,1.7840821081450604,0.0,1.7840821081450604
nPRO,HG3,0.05875066778875499,1.7840821081450604,0.0,0.0,1.7840821081450604,0.0,1.7840821081450604
nPRO,3HG,0.05875066778875499,1.7840821081450604,0.0,0.0,1.7840821081450604,0.0,1.7840821081450604
nPRO,HB,0.03640987144843606,1.661696134333946,0.0,0.0,1.661696134333946,0.0,1.661696134333946
nPRO,HB1,0.03640987144843606,1.661696134333946,0.0,0.0,1.661696134333946,0.0,1.661696134333946
nPRO,1HB,0.03640987144843606,1.661696134333946,0.0,0.0,1.661696134333946,0.0,1.661696134333946
nPRO,HB2,0.03640987144843606,1.661696134333946,0.0,0.0,1.661696134333946,0.0,1.661696134333946
nPRO,2HB,0.03640987144843606,1.661696134333946,0.0,0.0,1.661696134333946,0.0,1.661696134333946
nPRO,HB3,0.03640987144843606,1.661696134333946,0.0,0.0,1.661696134333946,0.0,1.661696134333946
nPRO,3HB,0.03640987144843606,1.661696134333946,0.0,0.0,1.661696134333946,0.0,1.661696134333946
nPRO,O,-0.49612675475553447,5.46022970435589,0.0,0.0,5.46022970435589,0.0,5.46022970435589
nSER,HN,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,H1,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,1H,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,HN1,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,HT1,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,H2,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,2H,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,HN2,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,HT2,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,H3,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,3H,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,HN3,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,HT3,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,H,0.3178005182785442,1.3415950918319441,0.0,0.0,1.3415950918319441,0.0,1.3415950918319441
nSER,N,-0.7922513231145822,7.105471123278185,0.0,0.0,7.105471123278185,0.0,7.105471123278185
nSER,CA,0.09588465938680958,7.9859201303625085,0.0,0.0,7.9859201303625085,0.0,7.9859201303625085
nSER,HA,0.07845920561811545,1.8558084069279468,0.0,0.0,1.8558084069279468,0.0,1.8558084069279468
nSER,CB,0.09708632764646556,7.27047277468636,0.0,0.0,7.27047277468636,0.0,7.27047277468636
nSER,C,0.48793471177757747,8.315005871368363,0.0,0.0,8.315005871368363,0.0,8.315005871368363
nSER,HB,0.023809592351792076,1.7760346198021986,0.0,0.0,1.7760346198021986,0.0,1.7760346198021986
nSER,HB1,0.023809592351792076,1.7760346198021986,0.0,0.0,1.7760346198021986,0.0,1.7760346198021986
nSER,1HB,0.023809592351792076,1.7760346198021986,0.0,0.0,1.7760346198021986,0.0,1.7760346198021986
nSER,HB2,0.023809592351792076,1.7760346198021986,0.0,0.0,1.7760346198021986,0.0,1.7760346198021986
nSER,2HB,0.023809592351792076,1.7760346198021986,0.0,0.0,1.7760346198021986,0.0,1.7760346198021986
nSER,HB3,0.023809592351792076,1.7760346198021986,0.0,0.0,1.7760346198021986,0.0,1.7760346198021986
nSER,3HB,0.023809592351792076,1.7760346198021986,0.0,0.0,1.7760346198021986,0.0,1.7760346198021986
nSER,OG,-0.5337703601296696,5.737032162393549,0.0,0.0,5.737032162393549,0.0,5.737032162393549
nSER,O,-0.4865913468569624,5.811673078281142,0.0,0.0,5.811673078281142,0.0,5.811673078281142
nSER,HG,0.3700279044115737,1.463981345355473,0.0,0.0,1.463981345355473,0.0,1.463981345355473
nSER,HG1,0.3700279044115737,1.463981345355473,0.0,0.0,1.463981345355473,0.0,1.463981345355473
nTHR,HN,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,H1,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,1H,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,HN1,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,HT1,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,H2,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,2H,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,HN2,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,HT2,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,H3,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,3H,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,HN3,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,HT3,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,H,0.3187283276761264,1.3369518503074953,0.0,0.0,1.3369518503074953,0.0,1.3369518503074953
nTHR,N,-0.7958603388811044,7.158193641041878,0.0,0.0,7.158193641041878,0.0,7.158193641041878
nTHR,CA,0.07281508083581606,8.029694797951317,0.0,0.0,8.029694797951317,0.0,8.029694797951317
nTHR,HA,0.07736084312457585,1.8166576675546673,0.0,0.0,1.8166576675546673,0.0,1.8166576675546673
nTHR,CB,0.35145126945598765,7.323048115770477,0.0,0.0,7.323048115770477,0.0,7.323048115770477
nTHR,C,0.4884445660060735,8.193105006254813,0.0,0.0,8.193105006254813,0.0,8.193105006254813
nTHR,HB,-0.03697405795258269,1.9254019614248583,0.0,0.0,1.9254019614248583,0.0,1.9254019614248583
nTHR,HB1,-0.03697405795258269,1.9254019614248583,0.0,0.0,1.9254019614248583,0.0,1.9254019614248583
nTHR,1HB,-0.03697405795258269,1.9254019614248583,0.0,0.0,1.9254019614248583,0.0,1.9254019614248583
nTHR,HB2,-0.03697405795258269,1.9254019614248583,0.0,0.0,1.9254019614248583,0.0,1.9254019614248583
nTHR,2HB,-0.03697405795258269,1.9254019614248583,0.0,0.0,1.9254019614248583,0.0,1.9254019614248583
nTHR,HB3,-0.03697405795258269,1.9254019614248583,0.0,0.0,1.9254019614248583,0.0,1.9254019614248583
nTHR,3HB,-0.03697405795258269,1.9254019614248583,0.0,0.0,1.9254019614248583,0.0,1.9254019614248583
nTHR,CG,-0.3849105402911643,7.579862688199331,0.0,0.0,7.579862688199331,0.0,7.579862688199331
nTHR,CG2,-0.3849105402911643,7.579862688199331,0.0,0.0,7.579862688199331,0.0,7.579862688199331
nTHR,OG,-0.5962490668842555,5.695944300605207,0.0,0.0,5.695944300605207,0.0,5.695944300605207
nTHR,OG1,-0.5962490668842555,5.695944300605207,0.0,0.0,5.695944300605207,0.0,5.695944300605207
nTHR,O,-0.48715714199337523,5.69948770337314,0.0,0.0,5.69948770337314,0.0,5.69948770337314
nTHR,HG2,0.09934391474352415,1.7078317049463996,0.0,0.0,1.7078317049463996,0.0,1.7078317049463996
nTHR,HG21,0.09934391474352415,1.7078317049463996,0.0,0.0,1.7078317049463996,0.0,1.7078317049463996
nTHR,1HG2,0.09934391474352415,1.7078317049463996,0.0,0.0,1.7078317049463996,0.0,1.7078317049463996
nTHR,HG22,0.09934391474352415,1.7078317049463996,0.0,0.0,1.7078317049463996,0.0,1.7078317049463996
nTHR,2HG2,0.09934391474352415,1.7078317049463996,0.0,0.0,1.7078317049463996,0.0,1.7078317049463996
nTHR,HG23,0.09934391474352415,1.7078317049463996,0.0,0.0,1.7078317049463996,0.0,1.7078317049463996
nTHR,3HG2,0.09934391474352415,1.7078317049463996,0.0,0.0,1.7078317049463996,0.0,1.7078317049463996
nTHR,HG1,0.37559098699720384,1.46001189820526,0.0,0.0,1.46001189820526,0.0,1.46001189820526
nTHR,HG1,0.37559098699720384,1.46001189820526,0.0,0.0,1.46001189820526,0.0,1.46001189820526
nTHR,HOG1,0.37559098699720384,1.46001189820526,0.0,0.0,1.46001189820526,0.0,1.46001189820526
nTRP,HN,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,H1,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,1H,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,HN1,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,HT1,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,H2,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,2H,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,HN2,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,HT2,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,H3,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,3H,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,HN3,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,HT3,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,H,0.3198350083569058,1.108854309420773,0.0,0.0,1.108854309420773,0.0,1.108854309420773
nTRP,N,-0.8336969683904308,7.616219346573243,0.0,0.0,7.616219346573243,0.0,7.616219346573243
nTRP,CA,0.21054139897316526,7.997386690075204,0.0,0.0,7.997386690075204,0.0,7.997386690075204
nTRP,HA,0.060234795218934954,1.6083257815604222,0.0,0.0,1.6083257815604222,0.0,1.6083257815604222
nTRP,CB,-0.2704915026492684,8.07887189527192,0.0,0.0,8.07887189527192,0.0,8.07887189527192
nTRP,C,0.4470198601871461,7.676389059780273,0.0,0.0,7.676389059780273,0.0,7.676389059780273
nTRP,HB,0.10242412485531852,1.3542726199663122,0.0,0.0,1.3542726199663122,0.0,1.3542726199663122
nTRP,HB1,0.10242412485531852,1.3542726199663122,0.0,0.0,1.3542726199663122,0.0,1.3542726199663122
nTRP,1HB,0.10242412485531852,1.3542726199663122,0.0,0.0,1.3542726199663122,0.0,1.3542726199663122
nTRP,HB2,0.10242412485531852,1.3542726199663122,0.0,0.0,1.3542726199663122,0.0,1.3542726199663122
nTRP,2HB,0.10242412485531852,1.3542726199663122,0.0,0.0,1.3542726199663122,0.0,1.3542726199663122
nTRP,HB3,0.10242412485531852,1.3542726199663122,0.0,0.0,1.3542726199663122,0.0,1.3542726199663122
nTRP,3HB,0.10242412485531852,1.3542726199663122,0.0,0.0,1.3542726199663122,0.0,1.3542726199663122
nTRP,CG,-0.03583728554456355,9.22485173430499,0.0,0.0,9.22485173430499,0.0,9.22485173430499
nTRP,O,-0.4742179806511937,5.340994158786834,0.0,0.0,5.340994158786834,0.0,5.340994158786834
nTRP,CD1,-0.18256005029202865,9.027273399249694,0.0,0.0,9.027273399249694,0.0,9.027273399249694
nTRP,CD2,0.1330130592294976,9.222001102136344,0.0,0.0,9.222001102136344,0.0,9.222001102136344
nTRP,HD,0.18877657634248193,1.977696914839996,0.0,0.0,1.977696914839996,0.0,1.977696914839996
nTRP,HD1,0.18877657634248193,1.977696914839996,0.0,0.0,1.977696914839996,0.0,1.977696914839996
nTRP,NE,-0.4005884604206176,7.116997178972097,0.0,0.0,7.116997178972097,0.0,7.116997178972097
nTRP,NE1,-0.4005884604206176,7.116997178972097,0.0,0.0,7.116997178972097,0.0,7.116997178972097
nTRP,CE2,0.20786937267481495,9.22749486819428,0.0,0.0,9.22749486819428,0.0,9.22749486819428
nTRP,CE3,-0.2245828557948737,9.193593873100527,0.0,0.0,9.193593873100527,0.0,9.193593873100527
nTRP,HE1,0.35045590251034564,1.4385321993972044,0.0,0.0,1.4385321993972044,0.0,1.4385321993972044
nTRP,CZ2,-0.2806241140121441,9.654366396808255,0.0,0.0,9.654366396808255,0.0,9.654366396808255
nTRP,CZ3,-0.17680012732167646,9.34848823156177,0.0,0.0,9.34848823156177,0.0,9.34848823156177
nTRP,HE3,0.14780369928012763,1.7778969165772145,0.0,0.0,1.7778969165772145,0.0,1.7778969165772145
nTRP,HZ2,0.15860139856665614,2.065128205685173,0.0,0.0,2.065128205685173,0.0,2.065128205685173
nTRP,CH2,-0.14772217937727206,9.23348167262503,0.0,0.0,9.23348167262503,0.0,9.23348167262503
nTRP,HZ3,0.1369282256731255,2.1085884580215657,0.0,0.0,2.1085884580215657,0.0,2.1085884580215657
nTRP,HH2,0.14135896937332468,2.2131724418735765,0.0,0.0,2.2131724418735765,0.0,2.2131724418735765
nTYR,HN,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,H1,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,1H,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,HN1,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,HT1,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,H2,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,2H,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,HN2,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,HT2,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,H3,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,3H,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,HN3,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,HT3,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,H,0.32295153051535436,1.240421654396678,0.0,0.0,1.240421654396678,0.0,1.240421654396678
nTYR,N,-0.8434168899394008,7.687870617058504,0.0,0.0,7.687870617058504,0.0,7.687870617058504
nTYR,CA,0.23198154441165636,8.103781969289539,0.0,0.0,8.103781969289539,0.0,8.103781969289539
nTYR,HA,0.04920404778891547,1.6634768923350052,0.0,0.0,1.6634768923350052,0.0,1.6634768923350052
nTYR,CB,-0.2713349882673141,8.31520815473716,0.0,0.0,8.31520815473716,0.0,8.31520815473716
nTYR,C,0.4477252897873081,7.885220838138739,0.0,0.0,7.885220838138739,0.0,7.885220838138739
nTYR,HB,0.08995027551474412,1.5362248469518631,0.0,0.0,1.5362248469518631,0.0,1.5362248469518631
nTYR,HB1,0.08995027551474412,1.5362248469518631,0.0,0.0,1.5362248469518631,0.0,1.5362248469518631
nTYR,1HB,0.08995027551474412,1.5362248469518631,0.0,0.0,1.5362248469518631,0.0,1.5362248469518631
nTYR,HB2,0.08995027551474412,1.5362248469518631,0.0,0.0,1.5362248469518631,0.0,1.5362248469518631
nTYR,2HB,0.08995027551474412,1.5362248469518631,0.0,0.0,1.5362248469518631,0.0,1.5362248469518631
nTYR,HB3,0.08995027551474412,1.5362248469518631,0.0,0.0,1.5362248469518631,0.0,1.5362248469518631
nTYR,3HB,0.08995027551474412,1.5362248469518631,0.0,0.0,1.5362248469518631,0.0,1.5362248469518631
nTYR,CG,0.14315052014785085,9.010306612001886,0.0,0.0,9.010306612001886,0.0,9.010306612001886
nTYR,O,-0.4793168574539754,5.421082987508739,0.0,0.0,5.421082987508739,0.0,5.421082987508739
nTYR,CD,-0.19332236452668874,8.77434692584277,0.0,0.0,8.77434692584277,0.0,8.77434692584277
nTYR,CD1,-0.19332236452668874,8.77434692584277,0.0,0.0,8.77434692584277,0.0,8.77434692584277
nTYR,CD2,-0.19332236452668874,8.77434692584277,0.0,0.0,8.77434692584277,0.0,8.77434692584277
nTYR,HD,0.14904811271913154,1.67391010248079,0.0,0.0,1.67391010248079,0.0,1.67391010248079
nTYR,HD1,0.14904811271913154,1.67391010248079,0.0,0.0,1.67391010248079,0.0,1.67391010248079
nTYR,HD2,0.14904811271913154,1.67391010248079,0.0,0.0,1.67391010248079,0.0,1.67391010248079
nTYR,CE,-0.26724137047529384,9.081985968863254,0.0,0.0,9.081985968863254,0.0,9.081985968863254
nTYR,CE1,-0.26724137047529384,9.081985968863254,0.0,0.0,9.081985968863254,0.0,9.081985968863254
nTYR,CE2,-0.26724137047529384,9.081985968863254,0.0,0.0,9.081985968863254,0.0,9.081985968863254
nTYR,HE,0.16940729358452425,1.918859395034776,0.0,0.0,1.918859395034776,0.0,1.918859395034776
nTYR,HE1,0.16940729358452425,1.918859395034776,0.0,0.0,1.918859395034776,0.0,1.918859395034776
nTYR,HE2,0.16940729358452425,1.918859395034776,0.0,0.0,1.918859395034776,0.0,1.918859395034776
nTYR,CZ,0.3134745974718083,8.664527971623894,0.0,0.0,8.664527971623894,0.0,8.664527971623894
nTYR,OH,-0.48089125874061256,5.966236831582505,0.0,0.0,5.966236831582505,0.0,5.966236831582505
nTYR,HH,0.34783704013022054,1.216260054795788,0.0,0.0,1.216260054795788,0.0,1.216260054795788
nVAL,HN,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,H1,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,1H,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,HN1,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,HT1,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,H2,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,2H,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,HN2,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,HT2,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,H3,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,3H,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,HN3,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,HT3,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,H,0.31527678481985916,1.4850297934175194,0.0,0.0,1.4850297934175194,0.0,1.4850297934175194
nVAL,N,-0.8066880788913362,7.095909993389269,0.0,0.0,7.095909993389269,0.0,7.095909993389269
nVAL,CA,0.02516215401722096,8.100933843165764,0.0,0.0,8.100933843165764,0.0,8.100933843165764
nVAL,HA,0.08247746657097782,1.9104309286218952,0.0,0.0,1.9104309286218952,0.0,1.9104309286218952
nVAL,CB,0.32746456060773277,7.602248368058735,0.0,0.0,7.602248368058735,0.0,7.602248368058735
nVAL,C,0.4842921677291365,8.301404913946586,0.0,0.0,8.301404913946586,0.0,8.301404913946586
nVAL,HB,-0.010229594410413422,1.925947730066294,0.0,0.0,1.925947730066294,0.0,1.925947730066294
nVAL,HB1,-0.010229594410413422,1.925947730066294,0.0,0.0,1.925947730066294,0.0,1.925947730066294
nVAL,1HB,-0.010229594410413422,1.925947730066294,0.0,0.0,1.925947730066294,0.0,1.925947730066294
nVAL,HB2,-0.010229594410413422,1.925947730066294,0.0,0.0,1.925947730066294,0.0,1.925947730066294
nVAL,2HB,-0.010229594410413422,1.925947730066294,0.0,0.0,1.925947730066294,0.0,1.925947730066294
nVAL,HB3,-0.010229594410413422,1.925947730066294,0.0,0.0,1.925947730066294,0.0,1.925947730066294
nVAL,3HB,-0.010229594410413422,1.925947730066294,0.0,0.0,1.925947730066294,0.0,1.925947730066294
nVAL,CG,-0.4464047362133707,7.6496481850161535,0.0,0.0,7.6496481850161535,0.0,7.6496481850161535
nVAL,CG1,-0.4464047362133707,7.6496481850161535,0.0,0.0,7.6496481850161535,0.0,7.6496481850161535
nVAL,CG2,-0.4464047362133707,7.6496481850161535,0.0,0.0,7.6496481850161535,0.0,7.6496481850161535
nVAL,O,-0.4904606579402565,5.801613971106437,0.0,0.0,5.801613971106437,0.0,5.801613971106437
nVAL,HG,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,HG11,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,1HG1,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,HG21,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,HG12,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,2HG1,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,HG22,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,HG13,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,3HG1,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,HG23,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,HG21,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,1HG2,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,HG22,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,2HG2,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,HG23,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nVAL,3HG2,0.10837298085066017,1.6778904277975601,0.0,0.0,1.6778904277975601,0.0,1.6778904277975601
nASH,HN,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,H1,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,1H,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,HN1,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,HT1,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,H2,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,2H,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,HN2,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,HT2,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,H3,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,3H,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,HN3,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,HT3,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,H,0.3188423547174242,1.2927452014068554,0.0,0.0,1.2927452014068554,0.0,1.2927452014068554
nASH,N,-0.7950430998415934,6.916517488801016,0.0,0.0,6.916517488801016,0.0,6.916517488801016
nASH,CA,0.11898893246177314,7.9033563403271225,0.0,0.0,7.9033563403271225,0.0,7.9033563403271225
nASH,HA,0.08084870868514767,1.6634259267606122,0.0,0.0,1.6634259267606122,0.0,1.6634259267606122
nASH,CB,-0.2614636400735321,7.841399280405316,0.0,0.0,7.841399280405316,0.0,7.841399280405316
nASH,C,0.5121153137000011,8.363638666724821,0.0,0.0,8.363638666724821,0.0,8.363638666724821
nASH,HB,0.10954676968447771,1.5052719258437097,0.0,0.0,1.5052719258437097,0.0,1.5052719258437097
nASH,HB1,0.10954676968447771,1.5052719258437097,0.0,0.0,1.5052719258437097,0.0,1.5052719258437097
nASH,1HB,0.10954676968447771,1.5052719258437097,0.0,0.0,1.5052719258437097,0.0,1.5052719258437097
nASH,HB2,0.10954676968447771,1.5052719258437097,0.0,0.0,1.5052719258437097,0.0,1.5052719258437097
nASH,2HB,0.10954676968447771,1.5052719258437097,0.0,0.0,1.5052719258437097,0.0,1.5052719258437097
nASH,HB3,0.10954676968447771,1.5052719258437097,0.0,0.0,1.5052719258437097,0.0,1.5052719258437097
nASH,3HB,0.10954676968447771,1.5052719258437097,0.0,0.0,1.5052719258437097,0.0,1.5052719258437097
nASH,CG,0.6570252099641372,7.523882690110489,0.0,0.0,7.523882690110489,0.0,7.523882690110489
nASH,O,-0.500618176040067,5.798975158517249,0.0,0.0,5.798975158517249,0.0,5.798975158517249
nASH,OD1,-0.5000289305127025,5.351646601364276,0.0,0.0,5.351646601364276,0.0,5.351646601364276
nASH,OD2,-0.578745583588883,5.801069354192053,0.0,0.0,5.801069354192053,0.0,5.801069354192053
nASH,HD,0.41014301644191486,1.52318783859319,0.0,0.0,1.52318783859319,0.0,1.52318783859319
nASH,HD2,0.41014301644191486,1.52318783859319,0.0,0.0,1.52318783859319,0.0,1.52318783859319
nASH,HD1,0.41014301644191486,1.52318783859319,0.0,0.0,1.52318783859319,0.0,1.52318783859319
nCYD,HN,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,HN,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,H1,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,H1,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,1H,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,1H,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,HN1,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,HN1,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,HT1,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,HT1,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,H2,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,H2,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,2H,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,2H,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,HN2,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,HN2,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,HT2,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,HT2,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,H3,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,H3,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,3H,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,3H,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,HN3,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,HN3,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,HT3,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,HT3,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,H,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYM,H,0.31764937093236273,0.7010534874363307,0.0,0.0,0.7010534874363307,0.0,0.7010534874363307
nCYD,N,-0.9481465580309922,7.466468178169372,0.0,0.0,7.466468178169372,0.0,7.466468178169372
nCYM,N,-0.9481465580309922,7.466468178169372,0.0,0.0,7.466468178169372,0.0,7.466468178169372
nCYD,CA,0.4051963929395311,11.989634246991477,0.0,0.0,11.989634246991477,0.0,11.989634246991477
nCYM,CA,0.4051963929395311,11.989634246991477,0.0,0.0,11.989634246991477,0.0,11.989634246991477
nCYD,HA,-0.03342548644260776,1.4950205295509225,0.0,0.0,1.4950205295509225,0.0,1.4950205295509225
nCYM,HA,-0.03342548644260776,1.4950205295509225,0.0,0.0,1.4950205295509225,0.0,1.4950205295509225
nCYD,CB,0.04088062020482993,14.17663810137413,0.0,0.0,14.17663810137413,0.0,14.17663810137413
nCYM,CB,0.04088062020482993,14.17663810137413,0.0,0.0,14.17663810137413,0.0,14.17663810137413
nCYD,C,0.2943735770119822,9.569423710814256,0.0,0.0,9.569423710814256,0.0,9.569423710814256
nCYM,C,0.2943735770119822,9.569423710814256,0.0,0.0,9.569423710814256,0.0,9.569423710814256
nCYD,HB,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYM,HB,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYD,HB1,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYM,HB1,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYD,1HB,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYM,1HB,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYD,HB2,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYM,HB2,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYD,2HB,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYM,2HB,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYD,HB3,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYM,HB3,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYD,3HB,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYM,3HB,-0.002485192966546787,0.8339652574576422,0.0,0.0,0.8339652574576422,0.0,0.8339652574576422
nCYD,SG,-0.914519244307593,33.598449487474994,0.0,0.0,33.598449487474994,0.0,33.598449487474994
nCYM,SG,-0.914519244307593,33.598449487474994,0.0,0.0,33.598449487474994,0.0,33.598449487474994
nCYD,O,-0.474687657306782,5.726277656348375,0.0,0.0,5.726277656348375,0.0,5.726277656348375
nCYM,O,-0.474687657306782,5.726277656348375,0.0,0.0,5.726277656348375,0.0,5.726277656348375
nCYX,HN,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,HN,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,HN,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,H1,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,H1,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,H1,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,1H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,1H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,1H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,HN1,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,HN1,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,HN1,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,HT1,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,HT1,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,HT1,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,H2,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,H2,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,H2,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,2H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,2H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,2H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,HN2,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,HN2,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,HN2,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,HT2,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,HT2,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,HT2,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,H3,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,H3,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,H3,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,3H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,3H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,3H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,HN3,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,HN3,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,HN3,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,HT3,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,HT3,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,HT3,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS1,H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYS2,H,0.32486558019311096,1.3279837225322435,0.0,0.0,1.3279837225322435,0.0,1.3279837225322435
nCYX,N,-0.8044093222392633,6.532742710135239,0.0,0.0,6.532742710135239,0.0,6.532742710135239
nCYS1,N,-0.8044093222392633,6.532742710135239,0.0,0.0,6.532742710135239,0.0,6.532742710135239
nCYS2,N,-0.8044093222392633,6.532742710135239,0.0,0.0,6.532742710135239,0.0,6.532742710135239
nCYX,CA,0.1350637489158683,7.134278169767191,0.0,0.0,7.134278169767191,0.0,7.134278169767191
nCYS1,CA,0.1350637489158683,7.134278169767191,0.0,0.0,7.134278169767191,0.0,7.134278169767191
nCYS2,CA,0.1350637489158683,7.134278169767191,0.0,0.0,7.134278169767191,0.0,7.134278169767191
nCYX,HA,0.09707994735227513,0.8078134155852111,0.0,0.0,0.8078134155852111,0.0,0.8078134155852111
nCYS1,HA,0.09707994735227513,0.8078134155852111,0.0,0.0,0.8078134155852111,0.0,0.8078134155852111
nCYS2,HA,0.09707994735227513,0.8078134155852111,0.0,0.0,0.8078134155852111,0.0,0.8078134155852111
nCYX,CB,-0.28582880327133287,9.662136603937652,0.0,0.0,9.662136603937652,0.0,9.662136603937652
nCYS1,CB,-0.28582880327133287,9.662136603937652,0.0,0.0,9.662136603937652,0.0,9.662136603937652
nCYS2,CB,-0.28582880327133287,9.662136603937652,0.0,0.0,9.662136603937652,0.0,9.662136603937652
nCYX,C,0.5111762482157491,5.829854724863501,0.0,0.0,5.829854724863501,0.0,5.829854724863501
nCYS1,C,0.5111762482157491,5.829854724863501,0.0,0.0,5.829854724863501,0.0,5.829854724863501
nCYS2,C,0.5111762482157491,5.829854724863501,0.0,0.0,5.829854724863501,0.0,5.829854724863501
nCYX,HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS1,HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS2,HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYX,HB1,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS1,HB1,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS2,HB1,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYX,1HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS1,1HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS2,1HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYX,HB2,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS1,HB2,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS2,HB2,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYX,2HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS1,2HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS2,2HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYX,HB3,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS1,HB3,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS2,HB3,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYX,3HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS1,3HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYS2,3HB,0.13291891052055388,2.142563882253732,0.0,0.0,2.142563882253732,0.0,2.142563882253732
nCYX,SG,-0.08214483123214296,22.194495307189655,0.0,0.0,22.194495307189655,0.0,22.194495307189655
nCYS1,SG,-0.08214483123214296,22.194495307189655,0.0,0.0,22.194495307189655,0.0,22.194495307189655
nCYS2,SG,-0.08214483123214296,22.194495307189655,0.0,0.0,22.194495307189655,0.0,22.194495307189655
nCYX,S,-0.08214483123214296,22.194495307189655,0.0,0.0,22.194495307189655,0.0,22.194495307189655
nCYS1,S,-0.08214483123214296,22.194495307189655,0.0,0.0,22.194495307189655,0.0,22.194495307189655
nCYS2,S,-0.08214483123214296,22.194495307189655,0.0,0.0,22.194495307189655,0.0,22.194495307189655
nCYX,O,-0.48650596916848315,5.122394477929134,0.0,0.0,5.122394477929134,0.0,5.122394477929134
nCYS1,O,-0.48650596916848315,5.122394477929134,0.0,0.0,5.122394477929134,0.0,5.122394477929134
nCYS2,O,-0.48650596916848315,5.122394477929134,0.0,0.0,5.122394477929134,0.0,5.122394477929134
nGLH,HN,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,H1,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,1H,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,HN1,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,HT1,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,H2,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,2H,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,HN2,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,HT2,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,H3,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,3H,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,HN3,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,HT3,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,H,0.3174258942232424,1.2484267166331982,0.0,0.0,1.2484267166331982,0.0,1.2484267166331982
nGLH,N,-0.8088217843616167,6.941709651424484,0.0,0.0,6.941709651424484,0.0,6.941709651424484
nGLH,CA,0.12580613990115497,8.106957544820503,0.0,0.0,8.106957544820503,0.0,8.106957544820503
nGLH,HA,0.07660268004914424,1.7747560966466167,0.0,0.0,1.7747560966466167,0.0,1.7747560966466167
nGLH,CB,-0.10487522342268203,7.565974933870116,0.0,0.0,7.565974933870116,0.0,7.565974933870116
nGLH,C,0.4898425479747469,8.367755833440256,0.0,0.0,8.367755833440256,0.0,8.367755833440256
nGLH,HB,0.06268188932852284,1.4061239483237138,0.0,0.0,1.4061239483237138,0.0,1.4061239483237138
nGLH,HB1,0.06268188932852284,1.4061239483237138,0.0,0.0,1.4061239483237138,0.0,1.4061239483237138
nGLH,1HB,0.06268188932852284,1.4061239483237138,0.0,0.0,1.4061239483237138,0.0,1.4061239483237138
nGLH,HB2,0.06268188932852284,1.4061239483237138,0.0,0.0,1.4061239483237138,0.0,1.4061239483237138
nGLH,2HB,0.06268188932852284,1.4061239483237138,0.0,0.0,1.4061239483237138,0.0,1.4061239483237138
nGLH,HB3,0.06268188932852284,1.4061239483237138,0.0,0.0,1.4061239483237138,0.0,1.4061239483237138
nGLH,3HB,0.06268188932852284,1.4061239483237138,0.0,0.0,1.4061239483237138,0.0,1.4061239483237138
nGLH,CG,-0.14293881657544294,7.932425965815355,0.0,0.0,7.932425965815355,0.0,7.932425965815355
nGLH,O,-0.5068129316683647,5.8126626191744535,0.0,0.0,5.8126626191744535,0.0,5.8126626191744535
nGLH,HG,0.07920244954929265,1.4569907894518237,0.0,0.0,1.4569907894518237,0.0,1.4569907894518237
nGLH,1HG,0.07920244954929265,1.4569907894518237,0.0,0.0,1.4569907894518237,0.0,1.4569907894518237
nGLH,HG1,0.07920244954929265,1.4569907894518237,0.0,0.0,1.4569907894518237,0.0,1.4569907894518237
nGLH,HG2,0.07920244954929265,1.4569907894518237,0.0,0.0,1.4569907894518237,0.0,1.4569907894518237
nGLH,2HG,0.07920244954929265,1.4569907894518237,0.0,0.0,1.4569907894518237,0.0,1.4569907894518237
nGLH,HG3,0.07920244954929265,1.4569907894518237,0.0,0.0,1.4569907894518237,0.0,1.4569907894518237
nGLH,3HG,0.07920244954929265,1.4569907894518237,0.0,0.0,1.4569907894518237,0.0,1.4569907894518237
nGLH,CD,0.6595411285890178,7.502697929897131,0.0,0.0,7.502697929897131,0.0,7.502697929897131
nGLH,OE1,-0.5481767004374567,5.828141048995241,0.0,0.0,5.828141048995241,0.0,5.828141048995241
nGLH,OE2,-0.5758477399369241,5.425996567566072,0.0,0.0,5.425996567566072,0.0,5.425996567566072
nGLH,HE,0.4170602336863075,1.5207659605812065,0.0,0.0,1.5207659605812065,0.0,1.5207659605812065
nGLH,HE2,0.4170602336863075,1.5207659605812065,0.0,0.0,1.5207659605812065,0.0,1.5207659605812065
nLYD,HN,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,HN,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,H1,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,H1,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,1H,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,1H,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,HN1,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,HN1,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,HT1,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,HT1,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,H2,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,H2,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,2H,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,2H,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,HN2,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,HN2,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,HT2,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,HT2,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,H3,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,H3,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,3H,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,3H,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,HN3,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,HN3,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,HT3,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,HT3,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,H,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYN,H,0.3160590669035051,1.2628447535626228,0.0,0.0,1.2628447535626228,0.0,1.2628447535626228
nLYD,N,-0.8229174293095594,7.010210324317797,0.0,0.0,7.010210324317797,0.0,7.010210324317797
nLYN,N,-0.8229174293095594,7.010210324317797,0.0,0.0,7.010210324317797,0.0,7.010210324317797
nLYD,CA,0.15609329838304226,8.195301553732609,0.0,0.0,8.195301553732609,0.0,8.195301553732609
nLYN,CA,0.15609329838304226,8.195301553732609,0.0,0.0,8.195301553732609,0.0,8.195301553732609
nLYD,HA,0.05874446669080752,1.780418392177401,0.0,0.0,1.780418392177401,0.0,1.780418392177401
nLYN,HA,0.05874446669080752,1.780418392177401,0.0,0.0,1.780418392177401,0.0,1.780418392177401
nLYD,CB,-0.13996531492051204,7.900639137822506,0.0,0.0,7.900639137822506,0.0,7.900639137822506
nLYN,CB,-0.13996531492051204,7.900639137822506,0.0,0.0,7.900639137822506,0.0,7.900639137822506
nLYD,C,0.4735546871048129,8.460406261516683,0.0,0.0,8.460406261516683,0.0,8.460406261516683
nLYN,C,0.4735546871048129,8.460406261516683,0.0,0.0,8.460406261516683,0.0,8.460406261516683
nLYD,HB,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYN,HB,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYD,HB1,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYN,HB1,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYD,1HB,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYN,1HB,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYD,HB2,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYN,HB2,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYD,2HB,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYN,2HB,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYD,HB3,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYN,HB3,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYD,3HB,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYN,3HB,0.05028257643407993,1.477933920439909,0.0,0.0,1.477933920439909,0.0,1.477933920439909
nLYD,CG,0.04345849234389836,7.871436653860256,0.0,0.0,7.871436653860256,0.0,7.871436653860256
nLYN,CG,0.04345849234389836,7.871436653860256,0.0,0.0,7.871436653860256,0.0,7.871436653860256
nLYD,O,-0.5044740429380484,5.839127931944984,0.0,0.0,5.839127931944984,0.0,5.839127931944984
nLYN,O,-0.5044740429380484,5.839127931944984,0.0,0.0,5.839127931944984,0.0,5.839127931944984
nLYD,HG,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYN,HG,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYD,1HG,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYN,1HG,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYD,HG1,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYN,HG1,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYD,HG2,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYN,HG2,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYD,2HG,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYN,2HG,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYD,HG3,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYN,HG3,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYD,3HG,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYN,3HG,0.01611962183898206,1.4851093703936464,0.0,0.0,1.4851093703936464,0.0,1.4851093703936464
nLYD,CD,-0.17107200481538393,7.837813110889579,0.0,0.0,7.837813110889579,0.0,7.837813110889579
nLYN,CD,-0.17107200481538393,7.837813110889579,0.0,0.0,7.837813110889579,0.0,7.837813110889579
nLYD,HD,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYN,HD,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYD,1HD,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYN,1HD,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYD,HD1,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYN,HD1,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYD,HD2,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYN,HD2,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYD,2HD,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYN,2HD,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYD,HD3,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYN,HD3,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYD,3HD,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYN,3HD,0.06380456631237828,1.608279863544334,0.0,0.0,1.608279863544334,0.0,1.608279863544334
nLYD,CE,0.19554202619581162,7.835202434864965,0.0,0.0,7.835202434864965,0.0,7.835202434864965
nLYN,CE,0.19554202619581162,7.835202434864965,0.0,0.0,7.835202434864965,0.0,7.835202434864965
nLYD,HE,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYN,HE,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYD,HE2,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYN,HE2,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYD,1HE,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYN,1HE,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYD,HE1,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYN,HE1,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYD,HE3,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYN,HE3,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYD,2HE,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYN,2HE,0.010683514662830554,1.7080751845009525,0.0,0.0,1.7080751845009525,0.0,1.7080751845009525
nLYD,NZ,-0.7981693714989767,7.820628184548431,0.0,0.0,7.820628184548431,0.0,7.820628184548431
nLYN,NZ,-0.7981693714989767,7.820628184548431,0.0,0.0,7.820628184548431,0.0,7.820628184548431
nLYD,HZ,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,HZ,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYD,HZ1,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,HZ1,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYD,1HZ,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,1HZ,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYD,HNZ1,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,HNZ1,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYD,HZ2,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,HZ2,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYD,2HZ,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,2HZ,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYD,HNZ2,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,HNZ2,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYD,HZ3,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,HZ3,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYD,3HZ,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,3HZ,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYD,HNZ3,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
nLYN,HNZ3,0.297653250230278,1.4249129815259798,0.0,0.0,1.4249129815259798,0.0,1.4249129815259798
cALA,N,-0.4428003637622462,7.679334725958579,0.0,0.0,7.679334725958579,0.0,7.679334725958579
cALA,HN,0.27496058565625464,1.5616995696521268,0.0,0.0,1.5616995696521268,0.0,1.5616995696521268
cALA,H,0.27496058565625464,1.5616995696521268,0.0,0.0,1.5616995696521268,0.0,1.5616995696521268
cALA,CA,0.2025462331373929,7.893324412907282,0.0,0.0,7.893324412907282,0.0,7.893324412907282
cALA,HA,0.0787857158018552,1.9284040663027906,0.0,0.0,1.9284040663027906,0.0,1.9284040663027906
cALA,CB,-0.43232201005915216,7.809712548470372,0.0,0.0,7.809712548470372,0.0,7.809712548470372
cALA,C,0.6100592884475555,7.421818281494293,0.0,0.0,7.421818281494293,0.0,7.421818281494293
cALA,HB,0.1290104421125242,2.0437106084345107,0.0,0.0,2.0437106084345107,0.0,2.0437106084345107
cALA,HB1,0.1290104421125242,2.0437106084345107,0.0,0.0,2.0437106084345107,0.0,2.0437106084345107
cALA,1HB,0.1290104421125242,2.0437106084345107,0.0,0.0,2.0437106084345107,0.0,2.0437106084345107
cALA,HB2,0.1290104421125242,2.0437106084345107,0.0,0.0,2.0437106084345107,0.0,2.0437106084345107
cALA,2HB,0.1290104421125242,2.0437106084345107,0.0,0.0,2.0437106084345107,0.0,2.0437106084345107
cALA,HB3,0.1290104421125242,2.0437106084345107,0.0,0.0,2.0437106084345107,0.0,2.0437106084345107
cALA,3HB,0.1290104421125242,2.0437106084345107,0.0,0.0,2.0437106084345107,0.0,2.0437106084345107
cALA,O1,-0.5261915078243378,5.692017699483534,0.0,0.0,5.692017699483534,0.0,5.692017699483534
cALA,O,-0.5261915078243378,5.692017699483534,0.0,0.0,5.692017699483534,0.0,5.692017699483534
cALA,OT1,-0.5261915078243378,5.692017699483534,0.0,0.0,5.692017699483534,0.0,5.692017699483534
cALA,O2,-0.5810509349246772,5.508193067743305,0.0,0.0,5.508193067743305,0.0,5.508193067743305
cALA,O'',-0.5810509349246772,5.508193067743305,0.0,0.0,5.508193067743305,0.0,5.508193067743305
cALA,OXT,-0.5810509349246772,5.508193067743305,0.0,0.0,5.508193067743305,0.0,5.508193067743305
cALA,OT2,-0.5810509349246772,5.508193067743305,0.0,0.0,5.508193067743305,0.0,5.508193067743305
cALA,HO,0.42898166718978237,1.5895027077861117,0.0,0.0,1.5895027077861117,0.0,1.5895027077861117
cALA,H'',0.42898166718978237,1.5895027077861117,0.0,0.0,1.5895027077861117,0.0,1.5895027077861117
cALA,HXT,0.42898166718978237,1.5895027077861117,0.0,0.0,1.5895027077861117,0.0,1.5895027077861117
cARG,N,-0.31912588603993985,7.519752087307103,0.0,0.0,7.519752087307103,0.0,7.519752087307103
cARG,HN,0.23976817383171847,1.2872719707858282,0.0,0.0,1.2872719707858282,0.0,1.2872719707858282
cARG,H,0.23976817383171847,1.2872719707858282,0.0,0.0,1.2872719707858282,0.0,1.2872719707858282
cARG,CA,8.048177861263173e-05,8.176015004521691,0.0,0.0,8.176015004521691,0.0,8.176015004521691
cARG,HA,0.11716823800534772,1.6161100580112358,0.0,0.0,1.6161100580112358,0.0,1.6161100580112358
cARG,CB,-0.21552903561576212,7.884039421274481,0.0,0.0,7.884039421274481,0.0,7.884039421274481
cARG,C,0.6691000491018899,7.394240833690119,0.0,0.0,7.394240833690119,0.0,7.394240833690119
cARG,HB,0.10050552726316082,1.4075239630648764,0.0,0.0,1.4075239630648764,0.0,1.4075239630648764
cARG,HB1,0.10050552726316082,1.4075239630648764,0.0,0.0,1.4075239630648764,0.0,1.4075239630648764
cARG,1HB,0.10050552726316082,1.4075239630648764,0.0,0.0,1.4075239630648764,0.0,1.4075239630648764
cARG,HB2,0.10050552726316082,1.4075239630648764,0.0,0.0,1.4075239630648764,0.0,1.4075239630648764
cARG,2HB,0.10050552726316082,1.4075239630648764,0.0,0.0,1.4075239630648764,0.0,1.4075239630648764
cARG,HB3,0.10050552726316082,1.4075239630648764,0.0,0.0,1.4075239630648764,0.0,1.4075239630648764
cARG,3HB,0.10050552726316082,1.4075239630648764,0.0,0.0,1.4075239630648764,0.0,1.4075239630648764
cARG,CG,-0.06299907699330978,7.789738738315745,0.0,0.0,7.789738738315745,0.0,7.789738738315745
cARG,CG,-0.06299907699330978,7.789738738315745,0.0,0.0,7.789738738315745,0.0,7.789738738315745
cARG,O1,-0.517228675269025,5.556987161716822,0.0,0.0,5.556987161716822,0.0,5.556987161716822
cARG,O,-0.517228675269025,5.556987161716822,0.0,0.0,5.556987161716822,0.0,5.556987161716822
cARG,OT1,-0.517228675269025,5.556987161716822,0.0,0.0,5.556987161716822,0.0,5.556987161716822
cARG,HG,0.07633009609821376,1.3909878860737794,0.0,0.0,1.3909878860737794,0.0,1.3909878860737794
cARG,1HG,0.07633009609821376,1.3909878860737794,0.0,0.0,1.3909878860737794,0.0,1.3909878860737794
cARG,HG1,0.07633009609821376,1.3909878860737794,0.0,0.0,1.3909878860737794,0.0,1.3909878860737794
cARG,HG2,0.07633009609821376,1.3909878860737794,0.0,0.0,1.3909878860737794,0.0,1.3909878860737794
cARG,2HG,0.07633009609821376,1.3909878860737794,0.0,0.0,1.3909878860737794,0.0,1.3909878860737794
cARG,HG3,0.07633009609821376,1.3909878860737794,0.0,0.0,1.3909878860737794,0.0,1.3909878860737794
cARG,3HG,0.07633009609821376,1.3909878860737794,0.0,0.0,1.3909878860737794,0.0,1.3909878860737794
cARG,CD,-0.06529772579319247,7.3957509235656405,0.0,0.0,7.3957509235656405,0.0,7.3957509235656405
cARG,HD,0.1277843985257571,1.3938792678581229,0.0,0.0,1.3938792678581229,0.0,1.3938792678581229
cARG,1HD,0.1277843985257571,1.3938792678581229,0.0,0.0,1.3938792678581229,0.0,1.3938792678581229
cARG,HD1,0.1277843985257571,1.3938792678581229,0.0,0.0,1.3938792678581229,0.0,1.3938792678581229
cARG,HD2,0.1277843985257571,1.3938792678581229,0.0,0.0,1.3938792678581229,0.0,1.3938792678581229
cARG,2HD,0.1277843985257571,1.3938792678581229,0.0,0.0,1.3938792678581229,0.0,1.3938792678581229
cARG,HD3,0.1277843985257571,1.3938792678581229,0.0,0.0,1.3938792678581229,0.0,1.3938792678581229
cARG,3HD,0.1277843985257571,1.3938792678581229,0.0,0.0,1.3938792678581229,0.0,1.3938792678581229
cARG,NE,-0.43706919152825224,7.317768935864783,0.0,0.0,7.317768935864783,0.0,7.317768935864783
cARG,HE,0.3652330945855169,1.140558971391048,0.0,0.0,1.140558971391048,0.0,1.140558971391048
cARG,HE,0.3652330945855169,1.140558971391048,0.0,0.0,1.140558971391048,0.0,1.140558971391048
cARG,CZ,0.5269720694581445,8.165836656363025,0.0,0.0,8.165836656363025,0.0,8.165836656363025
cARG,NH,-0.6977657489807233,6.333808592838747,0.0,0.0,6.333808592838747,0.0,6.333808592838747
cARG,NH1,-0.6977657489807233,6.333808592838747,0.0,0.0,6.333808592838747,0.0,6.333808592838747
cARG,NH2,-0.6977657489807233,6.333808592838747,0.0,0.0,6.333808592838747,0.0,6.333808592838747
cARG,HH,0.40664306353489177,0.7496212540861287,0.0,0.0,0.7496212540861287,0.0,0.7496212540861287
cARG,HH11,0.40664306353489177,0.7496212540861287,0.0,0.0,0.7496212540861287,0.0,0.7496212540861287
cARG,1HH1,0.40664306353489177,0.7496212540861287,0.0,0.0,0.7496212540861287,0.0,0.7496212540861287
cARG,HH12,0.40664306353489177,0.7496212540861287,0.0,0.0,0.7496212540861287,0.0,0.7496212540861287
cARG,2HH1,0.40664306353489177,0.7496212540861287,0.0,0.0,0.7496212540861287,0.0,0.7496212540861287
cARG,HH21,0.40664306353489177,0.7496212540861287,0.0,0.0,0.7496212540861287,0.0,0.7496212540861287
cARG,1HH2,0.40664306353489177,0.7496212540861287,0.0,0.0,0.7496212540861287,0.0,0.7496212540861287
cARG,HH22,0.40664306353489177,0.7496212540861287,0.0,0.0,0.7496212540861287,0.0,0.7496212540861287
cARG,2HH2,0.40664306353489177,0.7496212540861287,0.0,0.0,0.7496212540861287,0.0,0.7496212540861287
cARG,O2,-0.5747259619360184,5.340188550387301,0.0,0.0,5.340188550387301,0.0,5.340188550387301
cARG,O'',-0.5747259619360184,5.340188550387301,0.0,0.0,5.340188550387301,0.0,5.340188550387301
cARG,OXT,-0.5747259619360184,5.340188550387301,0.0,0.0,5.340188550387301,0.0,5.340188550387301
cARG,OT2,-0.5747259619360184,5.340188550387301,0.0,0.0,5.340188550387301,0.0,5.340188550387301
cARG,HO,0.433372646461886,1.45111679475158,0.0,0.0,1.45111679475158,0.0,1.45111679475158
cARG,H'',0.433372646461886,1.45111679475158,0.0,0.0,1.45111679475158,0.0,1.45111679475158
cARG,HXT,0.433372646461886,1.45111679475158,0.0,0.0,1.45111679475158,0.0,1.45111679475158
cASN,N,-0.3861905493528782,7.377471294111912,0.0,0.0,7.377471294111912,0.0,7.377471294111912
cASN,HN,0.25581026608907576,1.2465622918036317,0.0,0.0,1.2465622918036317,0.0,1.2465622918036317
cASN,H,0.25581026608907576,1.2465622918036317,0.0,0.0,1.2465622918036317,0.0,1.2465622918036317
cASN,CA,0.10676107816581226,7.990414408134842,0.0,0.0,7.990414408134842,0.0,7.990414408134842
cASN,HA,0.10570534208171971,1.4581913769624901,0.0,0.0,1.4581913769624901,0.0,1.4581913769624901
cASN,CB,-0.4582751456220108,7.982405550927811,0.0,0.0,7.982405550927811,0.0,7.982405550927811
cASN,C,0.6237167898110035,7.378597398808973,0.0,0.0,7.378597398808973,0.0,7.378597398808973
cASN,HB,0.1490345038452628,1.4598015204428412,0.0,0.0,1.4598015204428412,0.0,1.4598015204428412
cASN,HB1,0.1490345038452628,1.4598015204428412,0.0,0.0,1.4598015204428412,0.0,1.4598015204428412
cASN,1HB,0.1490345038452628,1.4598015204428412,0.0,0.0,1.4598015204428412,0.0,1.4598015204428412
cASN,HB2,0.1490345038452628,1.4598015204428412,0.0,0.0,1.4598015204428412,0.0,1.4598015204428412
cASN,2HB,0.1490345038452628,1.4598015204428412,0.0,0.0,1.4598015204428412,0.0,1.4598015204428412
cASN,HB3,0.1490345038452628,1.4598015204428412,0.0,0.0,1.4598015204428412,0.0,1.4598015204428412
cASN,3HB,0.1490345038452628,1.4598015204428412,0.0,0.0,1.4598015204428412,0.0,1.4598015204428412
cASN,CG,0.7736648511951382,8.001168434493954,0.0,0.0,8.001168434493954,0.0,8.001168434493954
cASN,O1,-0.5135451996669524,5.5702591796746885,0.0,0.0,5.5702591796746885,0.0,5.5702591796746885
cASN,O,-0.5135451996669524,5.5702591796746885,0.0,0.0,5.5702591796746885,0.0,5.5702591796746885
cASN,OT1,-0.5135451996669524,5.5702591796746885,0.0,0.0,5.5702591796746885,0.0,5.5702591796746885
cASN,OD,-0.521428304771588,5.563260196083,0.0,0.0,5.563260196083,0.0,5.563260196083
cASN,OD1,-0.521428304771588,5.563260196083,0.0,0.0,5.563260196083,0.0,5.563260196083
cASN,ND,-0.9540719497202563,7.479473342449538,0.0,0.0,7.479473342449538,0.0,7.479473342449538
cASN,ND2,-0.9540719497202563,7.479473342449538,0.0,0.0,7.479473342449538,0.0,7.479473342449538
cASN,HD,0.4079474906714477,1.24784616298783,0.0,0.0,1.24784616298783,0.0,1.24784616298783
cASN,HD21,0.4079474906714477,1.24784616298783,0.0,0.0,1.24784616298783,0.0,1.24784616298783
cASN,1HD2,0.4079474906714477,1.24784616298783,0.0,0.0,1.24784616298783,0.0,1.24784616298783
cASN,HN21,0.4079474906714477,1.24784616298783,0.0,0.0,1.24784616298783,0.0,1.24784616298783
cASN,HD22,0.4079474906714477,1.24784616298783,0.0,0.0,1.24784616298783,0.0,1.24784616298783
cASN,2HD2,0.4079474906714477,1.24784616298783,0.0,0.0,1.24784616298783,0.0,1.24784616298783
cASN,HN22,0.4079474906714477,1.24784616298783,0.0,0.0,1.24784616298783,0.0,1.24784616298783
cASN,O2,-0.5671956530359553,5.385571344238582,0.0,0.0,5.385571344238582,0.0,5.385571344238582
cASN,O'',-0.5671956530359553,5.385571344238582,0.0,0.0,5.385571344238582,0.0,5.385571344238582
cASN,OXT,-0.5671956530359553,5.385571344238582,0.0,0.0,5.385571344238582,0.0,5.385571344238582
cASN,OT2,-0.5671956530359553,5.385571344238582,0.0,0.0,5.385571344238582,0.0,5.385571344238582
cASN,HO,0.4210844857934708,1.4811641006256309,0.0,0.0,1.4811641006256309,0.0,1.4811641006256309
cASN,H'',0.4210844857934708,1.4811641006256309,0.0,0.0,1.4811641006256309,0.0,1.4811641006256309
cASN,HXT,0.4210844857934708,1.4811641006256309,0.0,0.0,1.4811641006256309,0.0,1.4811641006256309
cASP,N,-0.5969231581944617,7.386521329379352,0.0,0.0,7.386521329379352,0.0,7.386521329379352
cASP,HN,0.3189700971613967,1.0829711904156532,0.0,0.0,1.0829711904156532,0.0,1.0829711904156532
cASP,H,0.3189700971613967,1.0829711904156532,0.0,0.0,1.0829711904156532,0.0,1.0829711904156532
cASP,CA,0.2317907668000205,8.989736971654956,0.0,0.0,8.989736971654956,0.0,8.989736971654956
cASP,HA,0.06629396698039604,1.381061826740376,0.0,0.0,1.381061826740376,0.0,1.381061826740376
cASP,CB,-0.2648697527568085,10.0505561675184,0.0,0.0,10.0505561675184,0.0,10.0505561675184
cASP,C,0.6249657690789732,8.026685835243896,0.0,0.0,8.026685835243896,0.0,8.026685835243896
cASP,HB,0.029007087638330147,1.3380284726451586,0.0,0.0,1.3380284726451586,0.0,1.3380284726451586
cASP,HB1,0.029007087638330147,1.3380284726451586,0.0,0.0,1.3380284726451586,0.0,1.3380284726451586
cASP,1HB,0.029007087638330147,1.3380284726451586,0.0,0.0,1.3380284726451586,0.0,1.3380284726451586
cASP,HB2,0.029007087638330147,1.3380284726451586,0.0,0.0,1.3380284726451586,0.0,1.3380284726451586
cASP,2HB,0.029007087638330147,1.3380284726451586,0.0,0.0,1.3380284726451586,0.0,1.3380284726451586
cASP,HB3,0.029007087638330147,1.3380284726451586,0.0,0.0,1.3380284726451586,0.0,1.3380284726451586
cASP,3HB,0.029007087638330147,1.3380284726451586,0.0,0.0,1.3380284726451586,0.0,1.3380284726451586
cASP,CG,0.8679600461305865,10.309582286308968,0.0,0.0,10.309582286308968,0.0,10.309582286308968
cASP,O1,-0.5645791709017829,5.719794017856223,0.0,0.0,5.719794017856223,0.0,5.719794017856223
cASP,O,-0.5645791709017829,5.719794017856223,0.0,0.0,5.719794017856223,0.0,5.719794017856223
cASP,OT1,-0.5645791709017829,5.719794017856223,0.0,0.0,5.719794017856223,0.0,5.719794017856223
cASP,OD,-0.777815329902831,6.825892588288597,0.0,0.0,6.825892588288597,0.0,6.825892588288597
cASP,OD1,-0.777815329902831,6.825892588288597,0.0,0.0,6.825892588288597,0.0,6.825892588288597
cASP,OD2,-0.777815329902831,6.825892588288597,0.0,0.0,6.825892588288597,0.0,6.825892588288597
cASP,O2,-0.5824093982063014,5.598491815520612,0.0,0.0,5.598491815520612,0.0,5.598491815520612
cASP,O'',-0.5824093982063014,5.598491815520612,0.0,0.0,5.598491815520612,0.0,5.598491815520612
cASP,OXT,-0.5824093982063014,5.598491815520612,0.0,0.0,5.598491815520612,0.0,5.598491815520612
cASP,OT2,-0.5824093982063014,5.598491815520612,0.0,0.0,5.598491815520612,0.0,5.598491815520612
cASP,HO,0.39641731843698325,1.5699110134152467,0.0,0.0,1.5699110134152467,0.0,1.5699110134152467
cASP,H'',0.39641731843698325,1.5699110134152467,0.0,0.0,1.5699110134152467,0.0,1.5699110134152467
cASP,HXT,0.39641731843698325,1.5699110134152467,0.0,0.0,1.5699110134152467,0.0,1.5699110134152467
cCYS,N,-0.34326332912367447,7.465490710128338,0.0,0.0,7.465490710128338,0.0,7.465490710128338
cCYS,HN,0.25809915447348564,1.1584552394733967,0.0,0.0,1.1584552394733967,0.0,1.1584552394733967
cCYS,H,0.25809915447348564,1.1584552394733967,0.0,0.0,1.1584552394733967,0.0,1.1584552394733967
cCYS,CA,0.02098175464403801,8.371985594101105,0.0,0.0,8.371985594101105,0.0,8.371985594101105
cCYS,HA,0.1587330185459676,1.5111701250130511,0.0,0.0,1.5111701250130511,0.0,1.5111701250130511
cCYS,CB,-0.3565254759038672,8.928377343238797,0.0,0.0,8.928377343238797,0.0,8.928377343238797
cCYS,C,0.6264951939680087,7.378345458843596,0.0,0.0,7.378345458843596,0.0,7.378345458843596
cCYS,HB,0.16548510765250024,1.368811143155257,0.0,0.0,1.368811143155257,0.0,1.368811143155257
cCYS,HB1,0.16548510765250024,1.368811143155257,0.0,0.0,1.368811143155257,0.0,1.368811143155257
cCYS,1HB,0.16548510765250024,1.368811143155257,0.0,0.0,1.368811143155257,0.0,1.368811143155257
cCYS,HB2,0.16548510765250024,1.368811143155257,0.0,0.0,1.368811143155257,0.0,1.368811143155257
cCYS,2HB,0.16548510765250024,1.368811143155257,0.0,0.0,1.368811143155257,0.0,1.368811143155257
cCYS,HB3,0.16548510765250024,1.368811143155257,0.0,0.0,1.368811143155257,0.0,1.368811143155257
cCYS,3HB,0.16548510765250024,1.368811143155257,0.0,0.0,1.368811143155257,0.0,1.368811143155257
cCYS,SG,-0.23543624830189616,18.22536311452569,0.0,0.0,18.22536311452569,0.0,18.22536311452569
cCYS,S,-0.23543624830189616,18.22536311452569,0.0,0.0,18.22536311452569,0.0,18.22536311452569
cCYS,O1,-0.5051760376384736,5.5269578271867505,0.0,0.0,5.5269578271867505,0.0,5.5269578271867505
cCYS,O,-0.5051760376384736,5.5269578271867505,0.0,0.0,5.5269578271867505,0.0,5.5269578271867505
cCYS,OT1,-0.5051760376384736,5.5269578271867505,0.0,0.0,5.5269578271867505,0.0,5.5269578271867505
cCYS,HG,0.18120684723845285,2.7679896659161622,0.0,0.0,2.7679896659161622,0.0,2.7679896659161622
cCYS,1HG,0.18120684723845285,2.7679896659161622,0.0,0.0,2.7679896659161622,0.0,2.7679896659161622
cCYS,HG1,0.18120684723845285,2.7679896659161622,0.0,0.0,2.7679896659161622,0.0,2.7679896659161622
cCYS,HG2,0.18120684723845285,2.7679896659161622,0.0,0.0,2.7679896659161622,0.0,2.7679896659161622
cCYS,2HG,0.18120684723845285,2.7679896659161622,0.0,0.0,2.7679896659161622,0.0,2.7679896659161622
cCYS,HG3,0.18120684723845285,2.7679896659161622,0.0,0.0,2.7679896659161622,0.0,2.7679896659161622
cCYS,3HG,0.18120684723845285,2.7679896659161622,0.0,0.0,2.7679896659161622,0.0,2.7679896659161622
cCYS,O2,-0.55865205163015,5.341925485270583,0.0,0.0,5.341925485270583,0.0,5.341925485270583
cCYS,O'',-0.55865205163015,5.341925485270583,0.0,0.0,5.341925485270583,0.0,5.341925485270583
cCYS,OXT,-0.55865205163015,5.341925485270583,0.0,0.0,5.341925485270583,0.0,5.341925485270583
cCYS,OT2,-0.55865205163015,5.341925485270583,0.0,0.0,5.341925485270583,0.0,5.341925485270583
cCYS,HO,0.4225669584231082,1.4425305420917198,0.0,0.0,1.4425305420917198,0.0,1.4425305420917198
cCYS,H'',0.4225669584231082,1.4425305420917198,0.0,0.0,1.4425305420917198,0.0,1.4425305420917198
cCYS,HXT,0.4225669584231082,1.4425305420917198,0.0,0.0,1.4425305420917198,0.0,1.4425305420917198
cGLN,N,-0.40453852565340664,7.437827558373539,0.0,0.0,7.437827558373539,0.0,7.437827558373539
cGLN,HN,0.2691614800692569,1.2216968131489483,0.0,0.0,1.2216968131489483,0.0,1.2216968131489483
cGLN,H,0.2691614800692569,1.2216968131489483,0.0,0.0,1.2216968131489483,0.0,1.2216968131489483
cGLN,CA,0.032002954335262214,8.082390671760288,0.0,0.0,8.082390671760288,0.0,8.082390671760288
cGLN,HA,0.11638336420875176,1.6171566927929932,0.0,0.0,1.6171566927929932,0.0,1.6171566927929932
cGLN,CB,-0.1406527407773472,7.643904255063118,0.0,0.0,7.643904255063118,0.0,7.643904255063118
cGLN,C,0.6395088496714574,7.373610612566852,0.0,0.0,7.373610612566852,0.0,7.373610612566852
cGLN,HB,0.08501330468472713,1.3522262007590948,0.0,0.0,1.3522262007590948,0.0,1.3522262007590948
cGLN,HB1,0.08501330468472713,1.3522262007590948,0.0,0.0,1.3522262007590948,0.0,1.3522262007590948
cGLN,1HB,0.08501330468472713,1.3522262007590948,0.0,0.0,1.3522262007590948,0.0,1.3522262007590948
cGLN,HB2,0.08501330468472713,1.3522262007590948,0.0,0.0,1.3522262007590948,0.0,1.3522262007590948
cGLN,2HB,0.08501330468472713,1.3522262007590948,0.0,0.0,1.3522262007590948,0.0,1.3522262007590948
cGLN,HB3,0.08501330468472713,1.3522262007590948,0.0,0.0,1.3522262007590948,0.0,1.3522262007590948
cGLN,3HB,0.08501330468472713,1.3522262007590948,0.0,0.0,1.3522262007590948,0.0,1.3522262007590948
cGLN,CG,-0.21235090514702498,7.9633485362695255,0.0,0.0,7.9633485362695255,0.0,7.9633485362695255
cGLN,O1,-0.5226290558902036,5.57706397231438,0.0,0.0,5.57706397231438,0.0,5.57706397231438
cGLN,O,-0.5226290558902036,5.57706397231438,0.0,0.0,5.57706397231438,0.0,5.57706397231438
cGLN,OT1,-0.5226290558902036,5.57706397231438,0.0,0.0,5.57706397231438,0.0,5.57706397231438
cGLN,HG,0.07621336947966208,1.449433182332811,0.0,0.0,1.449433182332811,0.0,1.449433182332811
cGLN,1HG,0.07621336947966208,1.449433182332811,0.0,0.0,1.449433182332811,0.0,1.449433182332811
cGLN,HG1,0.07621336947966208,1.449433182332811,0.0,0.0,1.449433182332811,0.0,1.449433182332811
cGLN,HG2,0.07621336947966208,1.449433182332811,0.0,0.0,1.449433182332811,0.0,1.449433182332811
cGLN,2HG,0.07621336947966208,1.449433182332811,0.0,0.0,1.449433182332811,0.0,1.449433182332811
cGLN,HG3,0.07621336947966208,1.449433182332811,0.0,0.0,1.449433182332811,0.0,1.449433182332811
cGLN,3HG,0.07621336947966208,1.449433182332811,0.0,0.0,1.449433182332811,0.0,1.449433182332811
cGLN,CD,0.7310626246979806,8.125555055292123,0.0,0.0,8.125555055292123,0.0,8.125555055292123
cGLN,OE,-0.5364664804871153,5.725672659989875,0.0,0.0,5.725672659989875,0.0,5.725672659989875
cGLN,OE1,-0.5364664804871153,5.725672659989875,0.0,0.0,5.725672659989875,0.0,5.725672659989875
cGLN,NE,-0.9563991583459777,7.564873175249327,0.0,0.0,7.564873175249327,0.0,7.564873175249327
cGLN,NE2,-0.9563991583459777,7.564873175249327,0.0,0.0,7.564873175249327,0.0,7.564873175249327
cGLN,HE,0.40663559786704956,1.2786730538246966,0.0,0.0,1.2786730538246966,0.0,1.2786730538246966
cGLN,HE21,0.40663559786704956,1.2786730538246966,0.0,0.0,1.2786730538246966,0.0,1.2786730538246966
cGLN,1HE2,0.40663559786704956,1.2786730538246966,0.0,0.0,1.2786730538246966,0.0,1.2786730538246966
cGLN,HE22,0.40663559786704956,1.2786730538246966,0.0,0.0,1.2786730538246966,0.0,1.2786730538246966
cGLN,2HE2,0.40663559786704956,1.2786730538246966,0.0,0.0,1.2786730538246966,0.0,1.2786730538246966
cGLN,O2,-0.5719963983952484,5.373547764749834,0.0,0.0,5.373547764749834,0.0,5.373547764749834
cGLN,O'',-0.5719963983952484,5.373547764749834,0.0,0.0,5.373547764749834,0.0,5.373547764749834
cGLN,OXT,-0.5719963983952484,5.373547764749834,0.0,0.0,5.373547764749834,0.0,5.373547764749834
cGLN,OT2,-0.5719963983952484,5.373547764749834,0.0,0.0,5.373547764749834,0.0,5.373547764749834
cGLN,HO,0.4211894476507375,1.4814159161374878,0.0,0.0,1.4814159161374878,0.0,1.4814159161374878
cGLN,H'',0.4211894476507375,1.4814159161374878,0.0,0.0,1.4814159161374878,0.0,1.4814159161374878
cGLN,HXT,0.4211894476507375,1.4814159161374878,0.0,0.0,1.4814159161374878,0.0,1.4814159161374878
cGLU,N,-0.5436958617492873,7.440681212511205,0.0,0.0,7.440681212511205,0.0,7.440681212511205
cGLU,HN,0.30691139851660676,1.0950550131188672,0.0,0.0,1.0950550131188672,0.0,1.0950550131188672
cGLU,H,0.30691139851660676,1.0950550131188672,0.0,0.0,1.0950550131188672,0.0,1.0950550131188672
cGLU,CA,0.09959873189205062,8.798914404474976,0.0,0.0,8.798914404474976,0.0,8.798914404474976
cGLU,HA,0.09549327245803038,1.5420147623732263,0.0,0.0,1.5420147623732263,0.0,1.5420147623732263
cGLU,CB,0.005568906799056647,8.597229309879252,0.0,0.0,8.597229309879252,0.0,8.597229309879252
cGLU,C,0.6390990864333492,7.769415075900637,0.0,0.0,7.769415075900637,0.0,7.769415075900637
cGLU,HB,0.010828351437965726,1.1447109028377114,0.0,0.0,1.1447109028377114,0.0,1.1447109028377114
cGLU,HB1,0.010828351437965726,1.1447109028377114,0.0,0.0,1.1447109028377114,0.0,1.1447109028377114
cGLU,1HB,0.010828351437965726,1.1447109028377114,0.0,0.0,1.1447109028377114,0.0,1.1447109028377114
cGLU,HB2,0.010828351437965726,1.1447109028377114,0.0,0.0,1.1447109028377114,0.0,1.1447109028377114
cGLU,2HB,0.010828351437965726,1.1447109028377114,0.0,0.0,1.1447109028377114,0.0,1.1447109028377114
cGLU,HB3,0.010828351437965726,1.1447109028377114,0.0,0.0,1.1447109028377114,0.0,1.1447109028377114
cGLU,3HB,0.010828351437965726,1.1447109028377114,0.0,0.0,1.1447109028377114,0.0,1.1447109028377114
cGLU,CG,-0.11747135287994451,10.0541220253468,0.0,0.0,10.0541220253468,0.0,10.0541220253468
cGLU,O1,-0.5529444511782899,5.670081960048492,0.0,0.0,5.670081960048492,0.0,5.670081960048492
cGLU,O,-0.5529444511782899,5.670081960048492,0.0,0.0,5.670081960048492,0.0,5.670081960048492
cGLU,OT1,-0.5529444511782899,5.670081960048492,0.0,0.0,5.670081960048492,0.0,5.670081960048492
cGLU,HG,-0.010284491344820772,1.4007016318727636,0.0,0.0,1.4007016318727636,0.0,1.4007016318727636
cGLU,1HG,-0.010284491344820772,1.4007016318727636,0.0,0.0,1.4007016318727636,0.0,1.4007016318727636
cGLU,HG1,-0.010284491344820772,1.4007016318727636,0.0,0.0,1.4007016318727636,0.0,1.4007016318727636
cGLU,HG2,-0.010284491344820772,1.4007016318727636,0.0,0.0,1.4007016318727636,0.0,1.4007016318727636
cGLU,2HG,-0.010284491344820772,1.4007016318727636,0.0,0.0,1.4007016318727636,0.0,1.4007016318727636
cGLU,HG3,-0.010284491344820772,1.4007016318727636,0.0,0.0,1.4007016318727636,0.0,1.4007016318727636
cGLU,3HG,-0.010284491344820772,1.4007016318727636,0.0,0.0,1.4007016318727636,0.0,1.4007016318727636
cGLU,CD,0.8550237102008101,10.513811873432953,0.0,0.0,10.513811873432953,0.0,10.513811873432953
cGLU,OE,-0.8010494124642589,7.057917330882285,0.0,0.0,7.057917330882285,0.0,7.057917330882285
cGLU,OE1,-0.8010494124642589,7.057917330882285,0.0,0.0,7.057917330882285,0.0,7.057917330882285
cGLU,OE2,-0.8010494124642589,7.057917330882285,0.0,0.0,7.057917330882285,0.0,7.057917330882285
cGLU,O2,-0.592197864912738,5.4873241965729616,0.0,0.0,5.4873241965729616,0.0,5.4873241965729616
cGLU,O'',-0.592197864912738,5.4873241965729616,0.0,0.0,5.4873241965729616,0.0,5.4873241965729616
cGLU,OXT,-0.592197864912738,5.4873241965729616,0.0,0.0,5.4873241965729616,0.0,5.4873241965729616
cGLU,OT2,-0.592197864912738,5.4873241965729616,0.0,0.0,5.4873241965729616,0.0,5.4873241965729616
cGLU,HO,0.4056255291625839,1.5397648827922494,0.0,0.0,1.5397648827922494,0.0,1.5397648827922494
cGLU,H'',0.4056255291625839,1.5397648827922494,0.0,0.0,1.5397648827922494,0.0,1.5397648827922494
cGLU,HXT,0.4056255291625839,1.5397648827922494,0.0,0.0,1.5397648827922494,0.0,1.5397648827922494
cGLY,N,-0.3333450886844111,7.565355356278238,0.0,0.0,7.565355356278238,0.0,7.565355356278238
cGLY,HN,0.2599320691209802,1.6029318934382062,0.0,0.0,1.6029318934382062,0.0,1.6029318934382062
cGLY,H,0.2599320691209802,1.6029318934382062,0.0,0.0,1.6029318934382062,0.0,1.6029318934382062
cGLY,CA,-0.16960040909868654,7.840484953783713,0.0,0.0,7.840484953783713,0.0,7.840484953783713
cGLY,C,0.6635644597416341,7.381058341123111,0.0,0.0,7.381058341123111,0.0,7.381058341123111
cGLY,HA,0.12438838970390377,2.015929964748854,0.0,0.0,2.015929964748854,0.0,2.015929964748854
cGLY,HA2,0.12438838970390377,2.015929964748854,0.0,0.0,2.015929964748854,0.0,2.015929964748854
cGLY,1HA,0.12438838970390377,2.015929964748854,0.0,0.0,2.015929964748854,0.0,2.015929964748854
cGLY,HA1,0.12438838970390377,2.015929964748854,0.0,0.0,2.015929964748854,0.0,2.015929964748854
cGLY,HA3,0.12438838970390377,2.015929964748854,0.0,0.0,2.015929964748854,0.0,2.015929964748854
cGLY,2HA,0.12438838970390377,2.015929964748854,0.0,0.0,2.015929964748854,0.0,2.015929964748854
cGLY,O1,-0.5238342913716271,5.699508350776913,0.0,0.0,5.699508350776913,0.0,5.699508350776913
cGLY,O,-0.5238342913716271,5.699508350776913,0.0,0.0,5.699508350776913,0.0,5.699508350776913
cGLY,OT1,-0.5238342913716271,5.699508350776913,0.0,0.0,5.699508350776913,0.0,5.699508350776913
cGLY,O2,-0.5634952700289471,5.564879077531041,0.0,0.0,5.564879077531041,0.0,5.564879077531041
cGLY,O'',-0.5634952700289471,5.564879077531041,0.0,0.0,5.564879077531041,0.0,5.564879077531041
cGLY,OXT,-0.5634952700289471,5.564879077531041,0.0,0.0,5.564879077531041,0.0,5.564879077531041
cGLY,OT2,-0.5634952700289471,5.564879077531041,0.0,0.0,5.564879077531041,0.0,5.564879077531041
cGLY,HO,0.41800175091324987,1.5712147212950682,0.0,0.0,1.5712147212950682,0.0,1.5712147212950682
cGLY,H'',0.41800175091324987,1.5712147212950682,0.0,0.0,1.5712147212950682,0.0,1.5712147212950682
cGLY,HXT,0.41800175091324987,1.5712147212950682,0.0,0.0,1.5712147212950682,0.0,1.5712147212950682
cHID,N,-0.39528484052805873,7.78602533658774,0.0,0.0,7.78602533658774,0.0,7.78602533658774
cHSD,N,-0.39528484052805873,7.78602533658774,0.0,0.0,7.78602533658774,0.0,7.78602533658774
cHID,HN,0.25943006668052326,1.2302747023213043,0.0,0.0,1.2302747023213043,0.0,1.2302747023213043
cHSD,HN,0.25943006668052326,1.2302747023213043,0.0,0.0,1.2302747023213043,0.0,1.2302747023213043
cHID,H,0.25943006668052326,1.2302747023213043,0.0,0.0,1.2302747023213043,0.0,1.2302747023213043
cHSD,H,0.25943006668052326,1.2302747023213043,0.0,0.0,1.2302747023213043,0.0,1.2302747023213043
cHID,CA,0.11269085018560987,8.012325375418,0.0,0.0,8.012325375418,0.0,8.012325375418
cHSD,CA,0.11269085018560987,8.012325375418,0.0,0.0,8.012325375418,0.0,8.012325375418
cHID,HA,0.10174312576865854,1.4914407427361325,0.0,0.0,1.4914407427361325,0.0,1.4914407427361325
cHSD,HA,0.10174312576865854,1.4914407427361325,0.0,0.0,1.4914407427361325,0.0,1.4914407427361325
cHID,CB,-0.3336435725228544,8.12373148666114,0.0,0.0,8.12373148666114,0.0,8.12373148666114
cHSD,CB,-0.3336435725228544,8.12373148666114,0.0,0.0,8.12373148666114,0.0,8.12373148666114
cHID,C,0.6113502231654598,6.996999322840753,0.0,0.0,6.996999322840753,0.0,6.996999322840753
cHSD,C,0.6113502231654598,6.996999322840753,0.0,0.0,6.996999322840753,0.0,6.996999322840753
cHID,HB,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHSD,HB,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHID,HB1,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHSD,HB1,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHID,1HB,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHSD,1HB,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHID,HB2,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHSD,HB2,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHID,2HB,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHSD,2HB,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHID,HB3,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHSD,HB3,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHID,3HB,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHSD,3HB,0.13120183847205016,1.3669700394648094,0.0,0.0,1.3669700394648094,0.0,1.3669700394648094
cHID,CG,0.08134946062663016,8.586706086828753,0.0,0.0,8.586706086828753,0.0,8.586706086828753
cHSD,CG,0.08134946062663016,8.586706086828753,0.0,0.0,8.586706086828753,0.0,8.586706086828753
cHID,O1,-0.5102397303470744,5.1917455760915185,0.0,0.0,5.1917455760915185,0.0,5.1917455760915185
cHSD,O1,-0.5102397303470744,5.1917455760915185,0.0,0.0,5.1917455760915185,0.0,5.1917455760915185
cHID,OT1,-0.5102397303470744,5.1917455760915185,0.0,0.0,5.1917455760915185,0.0,5.1917455760915185
cHSD,OT1,-0.5102397303470744,5.1917455760915185,0.0,0.0,5.1917455760915185,0.0,5.1917455760915185
cHID,O,-0.5102397303470744,5.1917455760915185,0.0,0.0,5.1917455760915185,0.0,5.1917455760915185
cHSD,O,-0.5102397303470744,5.1917455760915185,0.0,0.0,5.1917455760915185,0.0,5.1917455760915185
cHID,ND,-0.3184076484722037,6.6437969112736965,0.0,0.0,6.6437969112736965,0.0,6.6437969112736965
cHSD,ND,-0.3184076484722037,6.6437969112736965,0.0,0.0,6.6437969112736965,0.0,6.6437969112736965
cHID,ND1,-0.3184076484722037,6.6437969112736965,0.0,0.0,6.6437969112736965,0.0,6.6437969112736965
cHSD,ND1,-0.3184076484722037,6.6437969112736965,0.0,0.0,6.6437969112736965,0.0,6.6437969112736965
cHID,CD,0.07799370380218672,8.409003620380071,0.0,0.0,8.409003620380071,0.0,8.409003620380071
cHSD,CD,0.07799370380218672,8.409003620380071,0.0,0.0,8.409003620380071,0.0,8.409003620380071
cHID,CD1,0.07799370380218672,8.409003620380071,0.0,0.0,8.409003620380071,0.0,8.409003620380071
cHSD,CD1,0.07799370380218672,8.409003620380071,0.0,0.0,8.409003620380071,0.0,8.409003620380071
cHID,CD2,0.07799370380218672,8.409003620380071,0.0,0.0,8.409003620380071,0.0,8.409003620380071
cHSD,CD2,0.07799370380218672,8.409003620380071,0.0,0.0,8.409003620380071,0.0,8.409003620380071
cHID,HD1,0.3132926631336915,1.3249773036049453,0.0,0.0,1.3249773036049453,0.0,1.3249773036049453
cHSD,HD1,0.3132926631336915,1.3249773036049453,0.0,0.0,1.3249773036049453,0.0,1.3249773036049453
cHID,CE,0.15456004801681586,8.341584902365268,0.0,0.0,8.341584902365268,0.0,8.341584902365268
cHSD,CE,0.15456004801681586,8.341584902365268,0.0,0.0,8.341584902365268,0.0,8.341584902365268
cHID,CE1,0.15456004801681586,8.341584902365268,0.0,0.0,8.341584902365268,0.0,8.341584902365268
cHSD,CE1,0.15456004801681586,8.341584902365268,0.0,0.0,8.341584902365268,0.0,8.341584902365268
cHID,CE2,0.15456004801681586,8.341584902365268,0.0,0.0,8.341584902365268,0.0,8.341584902365268
cHSD,CE2,0.15456004801681586,8.341584902365268,0.0,0.0,8.341584902365268,0.0,8.341584902365268
cHID,NE,-0.5150418469204892,7.548024537392528,0.0,0.0,7.548024537392528,0.0,7.548024537392528
cHSD,NE,-0.5150418469204892,7.548024537392528,0.0,0.0,7.548024537392528,0.0,7.548024537392528
cHID,NE2,-0.5150418469204892,7.548024537392528,0.0,0.0,7.548024537392528,0.0,7.548024537392528
cHSD,NE2,-0.5150418469204892,7.548024537392528,0.0,0.0,7.548024537392528,0.0,7.548024537392528
cHID,HD2,0.11177838391515653,1.7755869235093875,0.0,0.0,1.7755869235093875,0.0,1.7755869235093875
cHSD,HD2,0.11177838391515653,1.7755869235093875,0.0,0.0,1.7755869235093875,0.0,1.7755869235093875
cHID,HE,0.127830108741594,2.0260676584678032,0.0,0.0,2.0260676584678032,0.0,2.0260676584678032
cHSD,HE,0.127830108741594,2.0260676584678032,0.0,0.0,2.0260676584678032,0.0,2.0260676584678032
cHID,HE1,0.127830108741594,2.0260676584678032,0.0,0.0,2.0260676584678032,0.0,2.0260676584678032
cHSD,HE1,0.127830108741594,2.0260676584678032,0.0,0.0,2.0260676584678032,0.0,2.0260676584678032
cHID,HE2,0.127830108741594,2.0260676584678032,0.0,0.0,2.0260676584678032,0.0,2.0260676584678032
cHSD,HE2,0.127830108741594,2.0260676584678032,0.0,0.0,2.0260676584678032,0.0,2.0260676584678032
cHID,O2,-0.5629788093255902,5.263725198412428,0.0,0.0,5.263725198412428,0.0,5.263725198412428
cHSD,O2,-0.5629788093255902,5.263725198412428,0.0,0.0,5.263725198412428,0.0,5.263725198412428
cHID,O'',-0.5629788093255902,5.263725198412428,0.0,0.0,5.263725198412428,0.0,5.263725198412428
cHSD,O'',-0.5629788093255902,5.263725198412428,0.0,0.0,5.263725198412428,0.0,5.263725198412428
cHID,OXT,-0.5629788093255902,5.263725198412428,0.0,0.0,5.263725198412428,0.0,5.263725198412428
cHSD,OXT,-0.5629788093255902,5.263725198412428,0.0,0.0,5.263725198412428,0.0,5.263725198412428
cHID,OT2,-0.5629788093255902,5.263725198412428,0.0,0.0,5.263725198412428,0.0,5.263725198412428
cHSD,OT2,-0.5629788093255902,5.263725198412428,0.0,0.0,5.263725198412428,0.0,5.263725198412428
cHID,HO,0.42117413713584406,1.4188106238713925,0.0,0.0,1.4188106238713925,0.0,1.4188106238713925
cHSD,HO,0.42117413713584406,1.4188106238713925,0.0,0.0,1.4188106238713925,0.0,1.4188106238713925
cHID,H'',0.42117413713584406,1.4188106238713925,0.0,0.0,1.4188106238713925,0.0,1.4188106238713925
cHSD,H'',0.42117413713584406,1.4188106238713925,0.0,0.0,1.4188106238713925,0.0,1.4188106238713925
cHID,HXT,0.42117413713584406,1.4188106238713925,0.0,0.0,1.4188106238713925,0.0,1.4188106238713925
cHSD,HXT,0.42117413713584406,1.4188106238713925,0.0,0.0,1.4188106238713925,0.0,1.4188106238713925
cHIE,N,-0.4355698324541422,7.768120375904518,0.0,0.0,7.768120375904518,0.0,7.768120375904518
cHSE,N,-0.4355698324541422,7.768120375904518,0.0,0.0,7.768120375904518,0.0,7.768120375904518
cHIE,HN,0.2674120921687862,1.2257169599575175,0.0,0.0,1.2257169599575175,0.0,1.2257169599575175
cHSE,HN,0.2674120921687862,1.2257169599575175,0.0,0.0,1.2257169599575175,0.0,1.2257169599575175
cHIE,H,0.2674120921687862,1.2257169599575175,0.0,0.0,1.2257169599575175,0.0,1.2257169599575175
cHSE,H,0.2674120921687862,1.2257169599575175,0.0,0.0,1.2257169599575175,0.0,1.2257169599575175
cHIE,CA,0.17684561283142808,8.01197989511311,0.0,0.0,8.01197989511311,0.0,8.01197989511311
cHSE,CA,0.17684561283142808,8.01197989511311,0.0,0.0,8.01197989511311,0.0,8.01197989511311
cHIE,HA,0.07914323723993201,1.5227111156095623,0.0,0.0,1.5227111156095623,0.0,1.5227111156095623
cHSE,HA,0.07914323723993201,1.5227111156095623,0.0,0.0,1.5227111156095623,0.0,1.5227111156095623
cHIE,CB,-0.31588495952359874,8.1062844717992,0.0,0.0,8.1062844717992,0.0,8.1062844717992
cHSE,CB,-0.31588495952359874,8.1062844717992,0.0,0.0,8.1062844717992,0.0,8.1062844717992
cHIE,C,0.5943977086847776,7.0137749536494844,0.0,0.0,7.0137749536494844,0.0,7.0137749536494844
cHSE,C,0.5943977086847776,7.0137749536494844,0.0,0.0,7.0137749536494844,0.0,7.0137749536494844
cHIE,HB,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHSE,HB,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHIE,HB1,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHSE,HB1,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHIE,1HB,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHSE,1HB,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHIE,HB2,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHSE,HB2,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHIE,2HB,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHSE,2HB,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHIE,HB3,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHSE,HB3,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHIE,3HB,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHSE,3HB,0.10834158167727603,1.3586824337594714,0.0,0.0,1.3586824337594714,0.0,1.3586824337594714
cHIE,CG,0.3878086388660775,8.495456435289897,0.0,0.0,8.495456435289897,0.0,8.495456435289897
cHSE,CG,0.3878086388660775,8.495456435289897,0.0,0.0,8.495456435289897,0.0,8.495456435289897
cHIE,O1,-0.5137691699548278,5.26196363888473,0.0,0.0,5.26196363888473,0.0,5.26196363888473
cHSE,O1,-0.5137691699548278,5.26196363888473,0.0,0.0,5.26196363888473,0.0,5.26196363888473
cHIE,OT1,-0.5137691699548278,5.26196363888473,0.0,0.0,5.26196363888473,0.0,5.26196363888473
cHSE,OT1,-0.5137691699548278,5.26196363888473,0.0,0.0,5.26196363888473,0.0,5.26196363888473
cHIE,O,-0.5137691699548278,5.26196363888473,0.0,0.0,5.26196363888473,0.0,5.26196363888473
cHSE,O,-0.5137691699548278,5.26196363888473,0.0,0.0,5.26196363888473,0.0,5.26196363888473
cHIE,ND,-0.47595016233392995,7.418792516231702,0.0,0.0,7.418792516231702,0.0,7.418792516231702
cHSE,ND,-0.47595016233392995,7.418792516231702,0.0,0.0,7.418792516231702,0.0,7.418792516231702
cHIE,ND1,-0.47595016233392995,7.418792516231702,0.0,0.0,7.418792516231702,0.0,7.418792516231702
cHSE,ND1,-0.47595016233392995,7.418792516231702,0.0,0.0,7.418792516231702,0.0,7.418792516231702
cHIE,CD,-0.3349677883760799,8.570993663607359,0.0,0.0,8.570993663607359,0.0,8.570993663607359
cHSE,CD,-0.3349677883760799,8.570993663607359,0.0,0.0,8.570993663607359,0.0,8.570993663607359
cHIE,CD1,-0.3349677883760799,8.570993663607359,0.0,0.0,8.570993663607359,0.0,8.570993663607359
cHSE,CD1,-0.3349677883760799,8.570993663607359,0.0,0.0,8.570993663607359,0.0,8.570993663607359
cHIE,CD2,-0.3349677883760799,8.570993663607359,0.0,0.0,8.570993663607359,0.0,8.570993663607359
cHSE,CD2,-0.3349677883760799,8.570993663607359,0.0,0.0,8.570993663607359,0.0,8.570993663607359
cHIE,CE,0.05724085611444489,8.23100887582136,0.0,0.0,8.23100887582136,0.0,8.23100887582136
cHSE,CE,0.05724085611444489,8.23100887582136,0.0,0.0,8.23100887582136,0.0,8.23100887582136
cHIE,CE1,0.05724085611444489,8.23100887582136,0.0,0.0,8.23100887582136,0.0,8.23100887582136
cHSE,CE1,0.05724085611444489,8.23100887582136,0.0,0.0,8.23100887582136,0.0,8.23100887582136
cHIE,CE2,0.05724085611444489,8.23100887582136,0.0,0.0,8.23100887582136,0.0,8.23100887582136
cHSE,CE2,0.05724085611444489,8.23100887582136,0.0,0.0,8.23100887582136,0.0,8.23100887582136
cHIE,NE,-0.1976796808338926,6.622987383089732,0.0,0.0,6.622987383089732,0.0,6.622987383089732
cHSE,NE,-0.1976796808338926,6.622987383089732,0.0,0.0,6.622987383089732,0.0,6.622987383089732
cHIE,NE2,-0.1976796808338926,6.622987383089732,0.0,0.0,6.622987383089732,0.0,6.622987383089732
cHSE,NE2,-0.1976796808338926,6.622987383089732,0.0,0.0,6.622987383089732,0.0,6.622987383089732
cHIE,HD,0.18589734054056187,1.8262743153713958,0.0,0.0,1.8262743153713958,0.0,1.8262743153713958
cHSE,HD,0.18589734054056187,1.8262743153713958,0.0,0.0,1.8262743153713958,0.0,1.8262743153713958
cHIE,HD1,0.18589734054056187,1.8262743153713958,0.0,0.0,1.8262743153713958,0.0,1.8262743153713958
cHSE,HD1,0.18589734054056187,1.8262743153713958,0.0,0.0,1.8262743153713958,0.0,1.8262743153713958
cHIE,HD2,0.18589734054056187,1.8262743153713958,0.0,0.0,1.8262743153713958,0.0,1.8262743153713958
cHSE,HD2,0.18589734054056187,1.8262743153713958,0.0,0.0,1.8262743153713958,0.0,1.8262743153713958
cHIE,HE1,0.1496388424827553,2.0395117467709296,0.0,0.0,2.0395117467709296,0.0,2.0395117467709296
cHSE,HE1,0.1496388424827553,2.0395117467709296,0.0,0.0,2.0395117467709296,0.0,2.0395117467709296
cHIE,HE2,0.3066802688724422,1.5845955118565767,0.0,0.0,1.5845955118565767,0.0,1.5845955118565767
cHSE,HE2,0.3066802688724422,1.5845955118565767,0.0,0.0,1.5845955118565767,0.0,1.5845955118565767
cHIE,HNE2,0.3066802688724422,1.5845955118565767,0.0,0.0,1.5845955118565767,0.0,1.5845955118565767
cHSE,HNE2,0.3066802688724422,1.5845955118565767,0.0,0.0,1.5845955118565767,0.0,1.5845955118565767
cHIE,O2,-0.5699943508254487,5.256432605297104,0.0,0.0,5.256432605297104,0.0,5.256432605297104
cHSE,O2,-0.5699943508254487,5.256432605297104,0.0,0.0,5.256432605297104,0.0,5.256432605297104
cHIE,O'',-0.5699943508254487,5.256432605297104,0.0,0.0,5.256432605297104,0.0,5.256432605297104
cHSE,O'',-0.5699943508254487,5.256432605297104,0.0,0.0,5.256432605297104,0.0,5.256432605297104
cHIE,OXT,-0.5699943508254487,5.256432605297104,0.0,0.0,5.256432605297104,0.0,5.256432605297104
cHSE,OXT,-0.5699943508254487,5.256432605297104,0.0,0.0,5.256432605297104,0.0,5.256432605297104
cHIE,OT2,-0.5699943508254487,5.256432605297104,0.0,0.0,5.256432605297104,0.0,5.256432605297104
cHSE,OT2,-0.5699943508254487,5.256432605297104,0.0,0.0,5.256432605297104,0.0,5.256432605297104
cHIE,HO,0.4220681831461621,1.417878022781134,0.0,0.0,1.417878022781134,0.0,1.417878022781134
cHSE,HO,0.4220681831461621,1.417878022781134,0.0,0.0,1.417878022781134,0.0,1.417878022781134
cHIE,H'',0.4220681831461621,1.417878022781134,0.0,0.0,1.417878022781134,0.0,1.417878022781134
cHSE,H'',0.4220681831461621,1.417878022781134,0.0,0.0,1.417878022781134,0.0,1.417878022781134
cHIE,HXT,0.4220681831461621,1.417878022781134,0.0,0.0,1.417878022781134,0.0,1.417878022781134
cHSE,HXT,0.4220681831461621,1.417878022781134,0.0,0.0,1.417878022781134,0.0,1.417878022781134
cHIS,N,-0.26097235421914067,7.8040891465246345,0.0,0.0,7.8040891465246345,0.0,7.8040891465246345
cHIP,N,-0.26097235421914067,7.8040891465246345,0.0,0.0,7.8040891465246345,0.0,7.8040891465246345
cHSP,N,-0.26097235421914067,7.8040891465246345,0.0,0.0,7.8040891465246345,0.0,7.8040891465246345
cHIS,HN,0.22286418129173477,1.2332229245076547,0.0,0.0,1.2332229245076547,0.0,1.2332229245076547
cHIP,HN,0.22286418129173477,1.2332229245076547,0.0,0.0,1.2332229245076547,0.0,1.2332229245076547
cHSP,HN,0.22286418129173477,1.2332229245076547,0.0,0.0,1.2332229245076547,0.0,1.2332229245076547
cHIS,H,0.22286418129173477,1.2332229245076547,0.0,0.0,1.2332229245076547,0.0,1.2332229245076547
cHIP,H,0.22286418129173477,1.2332229245076547,0.0,0.0,1.2332229245076547,0.0,1.2332229245076547
cHSP,H,0.22286418129173477,1.2332229245076547,0.0,0.0,1.2332229245076547,0.0,1.2332229245076547
cHIS,CA,0.0014520483017158117,8.079403165116638,0.0,0.0,8.079403165116638,0.0,8.079403165116638
cHIP,CA,0.0014520483017158117,8.079403165116638,0.0,0.0,8.079403165116638,0.0,8.079403165116638
cHSP,CA,0.0014520483017158117,8.079403165116638,0.0,0.0,8.079403165116638,0.0,8.079403165116638
cHIS,HA,0.13839281693663036,1.53215729927778,0.0,0.0,1.53215729927778,0.0,1.53215729927778
cHIP,HA,0.13839281693663036,1.53215729927778,0.0,0.0,1.53215729927778,0.0,1.53215729927778
cHSP,HA,0.13839281693663036,1.53215729927778,0.0,0.0,1.53215729927778,0.0,1.53215729927778
cHIS,CB,-0.40176096693956803,7.943398896792417,0.0,0.0,7.943398896792417,0.0,7.943398896792417
cHIP,CB,-0.40176096693956803,7.943398896792417,0.0,0.0,7.943398896792417,0.0,7.943398896792417
cHSP,CB,-0.40176096693956803,7.943398896792417,0.0,0.0,7.943398896792417,0.0,7.943398896792417
cHIS,C,0.6542658740660198,6.9755901898862716,0.0,0.0,6.9755901898862716,0.0,6.9755901898862716
cHIP,C,0.6542658740660198,6.9755901898862716,0.0,0.0,6.9755901898862716,0.0,6.9755901898862716
cHSP,C,0.6542658740660198,6.9755901898862716,0.0,0.0,6.9755901898862716,0.0,6.9755901898862716
cHIS,HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIP,HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHSP,HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIS,HB1,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIP,HB1,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHSP,HB1,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIS,1HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIP,1HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHSP,1HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIS,HB2,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIP,HB2,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHSP,HB2,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIS,2HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIP,2HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHSP,2HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIS,HB3,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIP,HB3,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHSP,HB3,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIS,3HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIP,3HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHSP,3HB,0.1980129903306059,1.318052666029577,0.0,0.0,1.318052666029577,0.0,1.318052666029577
cHIS,CG,0.149763021441125,7.935886450553356,0.0,0.0,7.935886450553356,0.0,7.935886450553356
cHIP,CG,0.149763021441125,7.935886450553356,0.0,0.0,7.935886450553356,0.0,7.935886450553356
cHSP,CG,0.149763021441125,7.935886450553356,0.0,0.0,7.935886450553356,0.0,7.935886450553356
cHIS,O1,-0.493762571746973,5.1849480873706995,0.0,0.0,5.1849480873706995,0.0,5.1849480873706995
cHIP,O1,-0.493762571746973,5.1849480873706995,0.0,0.0,5.1849480873706995,0.0,5.1849480873706995
cHSP,O1,-0.493762571746973,5.1849480873706995,0.0,0.0,5.1849480873706995,0.0,5.1849480873706995
cHIS,OT1,-0.493762571746973,5.1849480873706995,0.0,0.0,5.1849480873706995,0.0,5.1849480873706995
cHIP,OT1,-0.493762571746973,5.1849480873706995,0.0,0.0,5.1849480873706995,0.0,5.1849480873706995
cHSP,OT1,-0.493762571746973,5.1849480873706995,0.0,0.0,5.1849480873706995,0.0,5.1849480873706995
cHIS,O,-0.493762571746973,5.1849480873706995,0.0,0.0,5.1849480873706995,0.0,5.1849480873706995
cHIP,O,-0.493762571746973,5.1849480873706995,0.0,0.0,5.1849480873706995,0.0,5.1849480873706995
cHSP,O,-0.493762571746973,5.1849480873706995,0.0,0.0,5.1849480873706995,0.0,5.1849480873706995
cHIS,ND,-0.19392503417105136,5.974106198431925,0.0,0.0,5.974106198431925,0.0,5.974106198431925
cHIP,ND,-0.19392503417105136,5.974106198431925,0.0,0.0,5.974106198431925,0.0,5.974106198431925
cHSP,ND,-0.19392503417105136,5.974106198431925,0.0,0.0,5.974106198431925,0.0,5.974106198431925
cHIS,ND1,-0.19392503417105136,5.974106198431925,0.0,0.0,5.974106198431925,0.0,5.974106198431925
cHIP,ND1,-0.19392503417105136,5.974106198431925,0.0,0.0,5.974106198431925,0.0,5.974106198431925
cHSP,ND1,-0.19392503417105136,5.974106198431925,0.0,0.0,5.974106198431925,0.0,5.974106198431925
cHIS,CD,-0.113706953252775,7.536315776842077,0.0,0.0,7.536315776842077,0.0,7.536315776842077
cHIP,CD,-0.113706953252775,7.536315776842077,0.0,0.0,7.536315776842077,0.0,7.536315776842077
cHSP,CD,-0.113706953252775,7.536315776842077,0.0,0.0,7.536315776842077,0.0,7.536315776842077
cHIS,CD1,-0.113706953252775,7.536315776842077,0.0,0.0,7.536315776842077,0.0,7.536315776842077
cHIP,CD1,-0.113706953252775,7.536315776842077,0.0,0.0,7.536315776842077,0.0,7.536315776842077
cHSP,CD1,-0.113706953252775,7.536315776842077,0.0,0.0,7.536315776842077,0.0,7.536315776842077
cHIS,CD2,-0.113706953252775,7.536315776842077,0.0,0.0,7.536315776842077,0.0,7.536315776842077
cHIP,CD2,-0.113706953252775,7.536315776842077,0.0,0.0,7.536315776842077,0.0,7.536315776842077
cHSP,CD2,-0.113706953252775,7.536315776842077,0.0,0.0,7.536315776842077,0.0,7.536315776842077
cHIS,HD1,0.3566512431868074,1.1319257467335766,0.0,0.0,1.1319257467335766,0.0,1.1319257467335766
cHIP,HD1,0.3566512431868074,1.1319257467335766,0.0,0.0,1.1319257467335766,0.0,1.1319257467335766
cHSP,HD1,0.3566512431868074,1.1319257467335766,0.0,0.0,1.1319257467335766,0.0,1.1319257467335766
cHIS,CE,0.010923708753466198,7.218657262067788,0.0,0.0,7.218657262067788,0.0,7.218657262067788
cHIP,CE,0.010923708753466198,7.218657262067788,0.0,0.0,7.218657262067788,0.0,7.218657262067788
cHSP,CE,0.010923708753466198,7.218657262067788,0.0,0.0,7.218657262067788,0.0,7.218657262067788
cHIS,CE1,0.010923708753466198,7.218657262067788,0.0,0.0,7.218657262067788,0.0,7.218657262067788
cHIP,CE1,0.010923708753466198,7.218657262067788,0.0,0.0,7.218657262067788,0.0,7.218657262067788
cHSP,CE1,0.010923708753466198,7.218657262067788,0.0,0.0,7.218657262067788,0.0,7.218657262067788
cHIS,CE2,0.010923708753466198,7.218657262067788,0.0,0.0,7.218657262067788,0.0,7.218657262067788
cHIP,CE2,0.010923708753466198,7.218657262067788,0.0,0.0,7.218657262067788,0.0,7.218657262067788
cHSP,CE2,0.010923708753466198,7.218657262067788,0.0,0.0,7.218657262067788,0.0,7.218657262067788
cHIS,NE,-0.18628424331161442,5.836775630564187,0.0,0.0,5.836775630564187,0.0,5.836775630564187
cHIP,NE,-0.18628424331161442,5.836775630564187,0.0,0.0,5.836775630564187,0.0,5.836775630564187
cHSP,NE,-0.18628424331161442,5.836775630564187,0.0,0.0,5.836775630564187,0.0,5.836775630564187
cHIS,NE2,-0.18628424331161442,5.836775630564187,0.0,0.0,5.836775630564187,0.0,5.836775630564187
cHIP,NE2,-0.18628424331161442,5.836775630564187,0.0,0.0,5.836775630564187,0.0,5.836775630564187
cHSP,NE2,-0.18628424331161442,5.836775630564187,0.0,0.0,5.836775630564187,0.0,5.836775630564187
cHIS,HD2,0.22058766502332677,1.6118787565293977,0.0,0.0,1.6118787565293977,0.0,1.6118787565293977
cHIP,HD2,0.22058766502332677,1.6118787565293977,0.0,0.0,1.6118787565293977,0.0,1.6118787565293977
cHSP,HD2,0.22058766502332677,1.6118787565293977,0.0,0.0,1.6118787565293977,0.0,1.6118787565293977
cHIS,HE1,0.2382240565268154,1.8362202158934884,0.0,0.0,1.8362202158934884,0.0,1.8362202158934884
cHIP,HE1,0.2382240565268154,1.8362202158934884,0.0,0.0,1.8362202158934884,0.0,1.8362202158934884
cHSP,HE1,0.2382240565268154,1.8362202158934884,0.0,0.0,1.8362202158934884,0.0,1.8362202158934884
cHIS,HE2,0.38324491837677005,1.3487478454581647,0.0,0.0,1.3487478454581647,0.0,1.3487478454581647
cHIP,HE2,0.38324491837677005,1.3487478454581647,0.0,0.0,1.3487478454581647,0.0,1.3487478454581647
cHSP,HE2,0.38324491837677005,1.3487478454581647,0.0,0.0,1.3487478454581647,0.0,1.3487478454581647
cHIS,HNE2,0.38324491837677005,1.3487478454581647,0.0,0.0,1.3487478454581647,0.0,1.3487478454581647
cHIP,HNE2,0.38324491837677005,1.3487478454581647,0.0,0.0,1.3487478454581647,0.0,1.3487478454581647
cHSP,HNE2,0.38324491837677005,1.3487478454581647,0.0,0.0,1.3487478454581647,0.0,1.3487478454581647
cHIS,O2,-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHIP,O2,-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHSP,O2,-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHIS,O'',-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHIP,O'',-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHSP,O'',-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHIS,OXT,-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHIP,OXT,-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHSP,OXT,-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHIS,OT2,-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHIP,OT2,-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHSP,OT2,-0.5586702836015367,5.1550933205014795,0.0,0.0,5.1550933205014795,0.0,5.1550933205014795
cHIS,HO,0.43668689267703575,1.3579038952124034,0.0,0.0,1.3579038952124034,0.0,1.3579038952124034
cHIP,HO,0.43668689267703575,1.3579038952124034,0.0,0.0,1.3579038952124034,0.0,1.3579038952124034
cHSP,HO,0.43668689267703575,1.3579038952124034,0.0,0.0,1.3579038952124034,0.0,1.3579038952124034
cHIS,H'',0.43668689267703575,1.3579038952124034,0.0,0.0,1.3579038952124034,0.0,1.3579038952124034
cHIP,H'',0.43668689267703575,1.3579038952124034,0.0,0.0,1.3579038952124034,0.0,1.3579038952124034
cHSP,H'',0.43668689267703575,1.3579038952124034,0.0,0.0,1.3579038952124034,0.0,1.3579038952124034
cHIS,HXT,0.43668689267703575,1.3579038952124034,0.0,0.0,1.3579038952124034,0.0,1.3579038952124034
cHIP,HXT,0.43668689267703575,1.3579038952124034,0.0,0.0,1.3579038952124034,0.0,1.3579038952124034
cHSP,HXT,0.43668689267703575,1.3579038952124034,0.0,0.0,1.3579038952124034,0.0,1.3579038952124034
cILE,N,-0.4067644087112421,7.507184362155462,0.0,0.0,7.507184362155462,0.0,7.507184362155462
cILE,HN,0.25673304593973806,1.291614557588691,0.0,0.0,1.291614557588691,0.0,1.291614557588691
cILE,H,0.25673304593973806,1.291614557588691,0.0,0.0,1.291614557588691,0.0,1.291614557588691
cILE,CA,-0.006431751848402554,8.134068403675501,0.0,0.0,8.134068403675501,0.0,8.134068403675501
cILE,HA,0.10952446471806275,1.6747313449572194,0.0,0.0,1.6747313449572194,0.0,1.6747313449572194
cILE,CB,0.11240086194337051,7.761128737108808,0.0,0.0,7.761128737108808,0.0,7.761128737108808
cILE,C,0.6549203661627824,7.2987713874328035,0.0,0.0,7.2987713874328035,0.0,7.2987713874328035
cILE,HB,0.024359737280777494,1.7656690843968568,0.0,0.0,1.7656690843968568,0.0,1.7656690843968568
cILE,HB1,0.024359737280777494,1.7656690843968568,0.0,0.0,1.7656690843968568,0.0,1.7656690843968568
cILE,1HB,0.024359737280777494,1.7656690843968568,0.0,0.0,1.7656690843968568,0.0,1.7656690843968568
cILE,HB2,0.024359737280777494,1.7656690843968568,0.0,0.0,1.7656690843968568,0.0,1.7656690843968568
cILE,2HB,0.024359737280777494,1.7656690843968568,0.0,0.0,1.7656690843968568,0.0,1.7656690843968568
cILE,HB3,0.024359737280777494,1.7656690843968568,0.0,0.0,1.7656690843968568,0.0,1.7656690843968568
cILE,3HB,0.024359737280777494,1.7656690843968568,0.0,0.0,1.7656690843968568,0.0,1.7656690843968568
cILE,CG2,-0.39122039149626586,7.408557913390057,0.0,0.0,7.408557913390057,0.0,7.408557913390057
cILE,CG1,0.05024963918783437,7.5323925459739005,0.0,0.0,7.5323925459739005,0.0,7.5323925459739005
cILE,O1,-0.533138900897842,5.520073409216884,0.0,0.0,5.520073409216884,0.0,5.520073409216884
cILE,OT1,-0.533138900897842,5.520073409216884,0.0,0.0,5.520073409216884,0.0,5.520073409216884
cILE,O,-0.533138900897842,5.520073409216884,0.0,0.0,5.520073409216884,0.0,5.520073409216884
cILE,HG2,0.10800990762525088,1.6480257213927947,0.0,0.0,1.6480257213927947,0.0,1.6480257213927947
cILE,HG21,0.10800990762525088,1.6480257213927947,0.0,0.0,1.6480257213927947,0.0,1.6480257213927947
cILE,1HG2,0.10800990762525088,1.6480257213927947,0.0,0.0,1.6480257213927947,0.0,1.6480257213927947
cILE,HG21,0.10800990762525088,1.6480257213927947,0.0,0.0,1.6480257213927947,0.0,1.6480257213927947
cILE,HG22,0.10800990762525088,1.6480257213927947,0.0,0.0,1.6480257213927947,0.0,1.6480257213927947
cILE,2HG2,0.10800990762525088,1.6480257213927947,0.0,0.0,1.6480257213927947,0.0,1.6480257213927947
cILE,HG23,0.10800990762525088,1.6480257213927947,0.0,0.0,1.6480257213927947,0.0,1.6480257213927947
cILE,3HG2,0.10800990762525088,1.6480257213927947,0.0,0.0,1.6480257213927947,0.0,1.6480257213927947
cILE,HG1,0.010300838792167678,1.7114855665474058,0.0,0.0,1.7114855665474058,0.0,1.7114855665474058
cILE,HG12,0.010300838792167678,1.7114855665474058,0.0,0.0,1.7114855665474058,0.0,1.7114855665474058
cILE,1HG1,0.010300838792167678,1.7114855665474058,0.0,0.0,1.7114855665474058,0.0,1.7114855665474058
cILE,HG11,0.010300838792167678,1.7114855665474058,0.0,0.0,1.7114855665474058,0.0,1.7114855665474058
cILE,HG13,0.010300838792167678,1.7114855665474058,0.0,0.0,1.7114855665474058,0.0,1.7114855665474058
cILE,2HG1,0.010300838792167678,1.7114855665474058,0.0,0.0,1.7114855665474058,0.0,1.7114855665474058
cILE,CD,-0.2711657337479836,7.768483303650075,0.0,0.0,7.768483303650075,0.0,7.768483303650075
cILE,CD1,-0.2711657337479836,7.768483303650075,0.0,0.0,7.768483303650075,0.0,7.768483303650075
cILE,CD2,-0.2711657337479836,7.768483303650075,0.0,0.0,7.768483303650075,0.0,7.768483303650075
cILE,HD,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,HD11,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,1HD1,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,HD12,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,2HD1,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,HD13,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,3HD1,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,HD1,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,HD2,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,HD3,0.07294643075104862,1.7304580722513636,0.0,0.0,1.7304580722513636,0.0,1.7304580722513636
cILE,O2,-0.5859372273041293,5.408232817637492,0.0,0.0,5.408232817637492,0.0,5.408232817637492
cILE,O'',-0.5859372273041293,5.408232817637492,0.0,0.0,5.408232817637492,0.0,5.408232817637492
cILE,OXT,-0.5859372273041293,5.408232817637492,0.0,0.0,5.408232817637492,0.0,5.408232817637492
cILE,OT2,-0.5859372273041293,5.408232817637492,0.0,0.0,5.408232817637492,0.0,5.408232817637492
cILE,HO,0.42299960606006604,1.5288940906692017,0.0,0.0,1.5288940906692017,0.0,1.5288940906692017
cILE,H'',0.42299960606006604,1.5288940906692017,0.0,0.0,1.5288940906692017,0.0,1.5288940906692017
cILE,HXT,0.42299960606006604,1.5288940906692017,0.0,0.0,1.5288940906692017,0.0,1.5288940906692017
cLEU,N,-0.41150180563408895,7.5253251475576,0.0,0.0,7.5253251475576,0.0,7.5253251475576
cLEU,HN,0.2648221388147748,1.3575694225546528,0.0,0.0,1.3575694225546528,0.0,1.3575694225546528
cLEU,H,0.2648221388147748,1.3575694225546528,0.0,0.0,1.3575694225546528,0.0,1.3575694225546528
cLEU,CA,0.05575625120761279,8.180521281857503,0.0,0.0,8.180521281857503,0.0,8.180521281857503
cLEU,HA,0.11093601606619036,1.6745530625586282,0.0,0.0,1.6745530625586282,0.0,1.6745530625586282
cLEU,CB,-0.31624243118805834,7.889706957301668,0.0,0.0,7.889706957301668,0.0,7.889706957301668
cLEU,C,0.6567213854296793,7.499468303657272,0.0,0.0,7.499468303657272,0.0,7.499468303657272
cLEU,HB,0.09458410803502641,1.7531366479586064,0.0,0.0,1.7531366479586064,0.0,1.7531366479586064
cLEU,HB1,0.09458410803502641,1.7531366479586064,0.0,0.0,1.7531366479586064,0.0,1.7531366479586064
cLEU,1HB,0.09458410803502641,1.7531366479586064,0.0,0.0,1.7531366479586064,0.0,1.7531366479586064
cLEU,HB2,0.09458410803502641,1.7531366479586064,0.0,0.0,1.7531366479586064,0.0,1.7531366479586064
cLEU,2HB,0.09458410803502641,1.7531366479586064,0.0,0.0,1.7531366479586064,0.0,1.7531366479586064
cLEU,HB3,0.09458410803502641,1.7531366479586064,0.0,0.0,1.7531366479586064,0.0,1.7531366479586064
cLEU,3HB,0.09458410803502641,1.7531366479586064,0.0,0.0,1.7531366479586064,0.0,1.7531366479586064
cLEU,CG,0.4541867602244158,7.541439717764084,0.0,0.0,7.541439717764084,0.0,7.541439717764084
cLEU,O1,-0.5328845365461764,5.641258733787532,0.0,0.0,5.641258733787532,0.0,5.641258733787532
cLEU,O,-0.5328845365461764,5.641258733787532,0.0,0.0,5.641258733787532,0.0,5.641258733787532
cLEU,OT1,-0.5328845365461764,5.641258733787532,0.0,0.0,5.641258733787532,0.0,5.641258733787532
cLEU,HG,-0.0431093728876699,1.9135793616175856,0.0,0.0,1.9135793616175856,0.0,1.9135793616175856
cLEU,1HG,-0.0431093728876699,1.9135793616175856,0.0,0.0,1.9135793616175856,0.0,1.9135793616175856
cLEU,HG1,-0.0431093728876699,1.9135793616175856,0.0,0.0,1.9135793616175856,0.0,1.9135793616175856
cLEU,HG2,-0.0431093728876699,1.9135793616175856,0.0,0.0,1.9135793616175856,0.0,1.9135793616175856
cLEU,2HG,-0.0431093728876699,1.9135793616175856,0.0,0.0,1.9135793616175856,0.0,1.9135793616175856
cLEU,HG3,-0.0431093728876699,1.9135793616175856,0.0,0.0,1.9135793616175856,0.0,1.9135793616175856
cLEU,3HG,-0.0431093728876699,1.9135793616175856,0.0,0.0,1.9135793616175856,0.0,1.9135793616175856
cLEU,CD,-0.4808599874511391,7.630880420055735,0.0,0.0,7.630880420055735,0.0,7.630880420055735
cLEU,CD1,-0.4808599874511391,7.630880420055735,0.0,0.0,7.630880420055735,0.0,7.630880420055735
cLEU,CD2,-0.4808599874511391,7.630880420055735,0.0,0.0,7.630880420055735,0.0,7.630880420055735
cLEU,HD,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,HD11,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,1HD1,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,HD12,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,2HD1,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,HD13,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,3HD1,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,HD21,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,1HD2,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,HD22,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,2HD2,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,HD23,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,3HD2,0.1158592561303441,1.60840614269789,0.0,0.0,1.60840614269789,0.0,1.60840614269789
cLEU,O2,-0.5831799832495421,5.497892522277159,0.0,0.0,5.497892522277159,0.0,5.497892522277159
cLEU,O'',-0.5831799832495421,5.497892522277159,0.0,0.0,5.497892522277159,0.0,5.497892522277159
cLEU,OXT,-0.5831799832495421,5.497892522277159,0.0,0.0,5.497892522277159,0.0,5.497892522277159
cLEU,OT2,-0.5831799832495421,5.497892522277159,0.0,0.0,5.497892522277159,0.0,5.497892522277159
cLEU,HO,0.42189179981302344,1.574140180206139,0.0,0.0,1.574140180206139,0.0,1.574140180206139
cLEU,H'',0.42189179981302344,1.574140180206139,0.0,0.0,1.574140180206139,0.0,1.574140180206139
cLEU,HXT,0.42189179981302344,1.574140180206139,0.0,0.0,1.574140180206139,0.0,1.574140180206139
cLYS,N,-0.32378588070868936,7.497599872690709,0.0,0.0,7.497599872690709,0.0,7.497599872690709
cLYS,HN,0.24337501294403666,1.292558624854892,0.0,0.0,1.292558624854892,0.0,1.292558624854892
cLYS,H,0.24337501294403666,1.292558624854892,0.0,0.0,1.292558624854892,0.0,1.292558624854892
cLYS,CA,0.005752566250153646,8.147997626772012,0.0,0.0,8.147997626772012,0.0,8.147997626772012
cLYS,HA,0.11498333970994523,1.6273340940503054,0.0,0.0,1.6273340940503054,0.0,1.6273340940503054
cLYS,CB,-0.23112135306845846,7.869300636056391,0.0,0.0,7.869300636056391,0.0,7.869300636056391
cLYS,C,0.6571975417020803,7.385359089809744,0.0,0.0,7.385359089809744,0.0,7.385359089809744
cLYS,HB,0.10932956091490899,1.464340384518481,0.0,0.0,1.464340384518481,0.0,1.464340384518481
cLYS,HB1,0.10932956091490899,1.464340384518481,0.0,0.0,1.464340384518481,0.0,1.464340384518481
cLYS,1HB,0.10932956091490899,1.464340384518481,0.0,0.0,1.464340384518481,0.0,1.464340384518481
cLYS,HB2,0.10932956091490899,1.464340384518481,0.0,0.0,1.464340384518481,0.0,1.464340384518481
cLYS,2HB,0.10932956091490899,1.464340384518481,0.0,0.0,1.464340384518481,0.0,1.464340384518481
cLYS,HB3,0.10932956091490899,1.464340384518481,0.0,0.0,1.464340384518481,0.0,1.464340384518481
cLYS,3HB,0.10932956091490899,1.464340384518481,0.0,0.0,1.464340384518481,0.0,1.464340384518481
cLYS,CG,-0.04854967617726477,7.726904636812905,0.0,0.0,7.726904636812905,0.0,7.726904636812905
cLYS,O1,-0.5114967688639913,5.547976457237564,0.0,0.0,5.547976457237564,0.0,5.547976457237564
cLYS,O,-0.5114967688639913,5.547976457237564,0.0,0.0,5.547976457237564,0.0,5.547976457237564
cLYS,OT1,-0.5114967688639913,5.547976457237564,0.0,0.0,5.547976457237564,0.0,5.547976457237564
cLYS,HG,0.06169247112144726,1.458135979042015,0.0,0.0,1.458135979042015,0.0,1.458135979042015
cLYS,1HG,0.06169247112144726,1.458135979042015,0.0,0.0,1.458135979042015,0.0,1.458135979042015
cLYS,HG1,0.06169247112144726,1.458135979042015,0.0,0.0,1.458135979042015,0.0,1.458135979042015
cLYS,HG2,0.06169247112144726,1.458135979042015,0.0,0.0,1.458135979042015,0.0,1.458135979042015
cLYS,2HG,0.06169247112144726,1.458135979042015,0.0,0.0,1.458135979042015,0.0,1.458135979042015
cLYS,HG3,0.06169247112144726,1.458135979042015,0.0,0.0,1.458135979042015,0.0,1.458135979042015
cLYS,3HG,0.06169247112144726,1.458135979042015,0.0,0.0,1.458135979042015,0.0,1.458135979042015
cLYS,CD,-0.16010952446226473,7.630893854378181,0.0,0.0,7.630893854378181,0.0,7.630893854378181
cLYS,HD,0.1053743129714827,1.5580709550736522,0.0,0.0,1.5580709550736522,0.0,1.5580709550736522
cLYS,1HD,0.1053743129714827,1.5580709550736522,0.0,0.0,1.5580709550736522,0.0,1.5580709550736522
cLYS,HD1,0.1053743129714827,1.5580709550736522,0.0,0.0,1.5580709550736522,0.0,1.5580709550736522
cLYS,HD2,0.1053743129714827,1.5580709550736522,0.0,0.0,1.5580709550736522,0.0,1.5580709550736522
cLYS,2HD,0.1053743129714827,1.5580709550736522,0.0,0.0,1.5580709550736522,0.0,1.5580709550736522
cLYS,HD3,0.1053743129714827,1.5580709550736522,0.0,0.0,1.5580709550736522,0.0,1.5580709550736522
cLYS,3HD,0.1053743129714827,1.5580709550736522,0.0,0.0,1.5580709550736522,0.0,1.5580709550736522
cLYS,CE,-0.04655291044637689,7.156763790104803,0.0,0.0,7.156763790104803,0.0,7.156763790104803
cLYS,HE,0.1424865022893734,1.4845405850076026,0.0,0.0,1.4845405850076026,0.0,1.4845405850076026
cLYS,HE2,0.1424865022893734,1.4845405850076026,0.0,0.0,1.4845405850076026,0.0,1.4845405850076026
cLYS,1HE,0.1424865022893734,1.4845405850076026,0.0,0.0,1.4845405850076026,0.0,1.4845405850076026
cLYS,HE1,0.1424865022893734,1.4845405850076026,0.0,0.0,1.4845405850076026,0.0,1.4845405850076026
cLYS,HE3,0.1424865022893734,1.4845405850076026,0.0,0.0,1.4845405850076026,0.0,1.4845405850076026
cLYS,2HE,0.1424865022893734,1.4845405850076026,0.0,0.0,1.4845405850076026,0.0,1.4845405850076026
cLYS,NZ,-0.4819056659382121,5.271052520312255,0.0,0.0,5.271052520312255,0.0,5.271052520312255
cLYS,HZ,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,HZ1,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,1HZ,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,HNZ1,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,HZ2,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,2HZ,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,HNZ2,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,HZ3,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,3HZ,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,HNZ3,0.36069181630302094,0.9317674578401305,0.0,0.0,0.9317674578401305,0.0,0.9317674578401305
cLYS,O2,-0.5705967984264904,5.339622052631116,0.0,0.0,5.339622052631116,0.0,5.339622052631116
cLYS,O'',-0.5705967984264904,5.339622052631116,0.0,0.0,5.339622052631116,0.0,5.339622052631116
cLYS,OXT,-0.5705967984264904,5.339622052631116,0.0,0.0,5.339622052631116,0.0,5.339622052631116
cLYS,OT2,-0.5705967984264904,5.339622052631116,0.0,0.0,5.339622052631116,0.0,5.339622052631116
cLYS,HO,0.4329689739820446,1.446420042575397,0.0,0.0,1.446420042575397,0.0,1.446420042575397
cLYS,H'',0.4329689739820446,1.446420042575397,0.0,0.0,1.446420042575397,0.0,1.446420042575397
cLYS,HXT,0.4329689739820446,1.446420042575397,0.0,0.0,1.446420042575397,0.0,1.446420042575397
cMET,N,-0.42687832475919596,7.452949797516574,0.0,0.0,7.452949797516574,0.0,7.452949797516574
cMET,HN,0.2681884896584234,1.172719282041203,0.0,0.0,1.172719282041203,0.0,1.172719282041203
cMET,H,0.2681884896584234,1.172719282041203,0.0,0.0,1.172719282041203,0.0,1.172719282041203
cMET,CA,0.11056693766575844,8.321945409736479,0.0,0.0,8.321945409736479,0.0,8.321945409736479
cMET,HA,0.08978477329482772,1.55310241004547,0.0,0.0,1.55310241004547,0.0,1.55310241004547
cMET,CB,-0.0601504775301583,8.28852377961627,0.0,0.0,8.28852377961627,0.0,8.28852377961627
cMET,C,0.6297788003985796,7.439330419563138,0.0,0.0,7.439330419563138,0.0,7.439330419563138
cMET,HB,0.060723368926366275,1.2752885758619585,0.0,0.0,1.2752885758619585,0.0,1.2752885758619585
cMET,HB1,0.060723368926366275,1.2752885758619585,0.0,0.0,1.2752885758619585,0.0,1.2752885758619585
cMET,1HB,0.060723368926366275,1.2752885758619585,0.0,0.0,1.2752885758619585,0.0,1.2752885758619585
cMET,HB2,0.060723368926366275,1.2752885758619585,0.0,0.0,1.2752885758619585,0.0,1.2752885758619585
cMET,2HB,0.060723368926366275,1.2752885758619585,0.0,0.0,1.2752885758619585,0.0,1.2752885758619585
cMET,HB3,0.060723368926366275,1.2752885758619585,0.0,0.0,1.2752885758619585,0.0,1.2752885758619585
cMET,3HB,0.060723368926366275,1.2752885758619585,0.0,0.0,1.2752885758619585,0.0,1.2752885758619585
cMET,CG,-0.26196452456121894,9.227528901272512,0.0,0.0,9.227528901272512,0.0,9.227528901272512
cMET,O1,-0.5271173011690301,5.526885951683819,0.0,0.0,5.526885951683819,0.0,5.526885951683819
cMET,O,-0.5271173011690301,5.526885951683819,0.0,0.0,5.526885951683819,0.0,5.526885951683819
cMET,OT1,-0.5271173011690301,5.526885951683819,0.0,0.0,5.526885951683819,0.0,5.526885951683819
cMET,HG,0.13820007134516968,1.4054685088044492,0.0,0.0,1.4054685088044492,0.0,1.4054685088044492
cMET,1HG,0.13820007134516968,1.4054685088044492,0.0,0.0,1.4054685088044492,0.0,1.4054685088044492
cMET,HG1,0.13820007134516968,1.4054685088044492,0.0,0.0,1.4054685088044492,0.0,1.4054685088044492
cMET,HG2,0.13820007134516968,1.4054685088044492,0.0,0.0,1.4054685088044492,0.0,1.4054685088044492
cMET,2HG,0.13820007134516968,1.4054685088044492,0.0,0.0,1.4054685088044492,0.0,1.4054685088044492
cMET,HG3,0.13820007134516968,1.4054685088044492,0.0,0.0,1.4054685088044492,0.0,1.4054685088044492
cMET,3HG,0.13820007134516968,1.4054685088044492,0.0,0.0,1.4054685088044492,0.0,1.4054685088044492
cMET,SD,-0.1094350964229167,18.7612608274076,0.0,0.0,18.7612608274076,0.0,18.7612608274076
cMET,CE,-0.5371854312659106,8.696082167641999,0.0,0.0,8.696082167641999,0.0,8.696082167641999
cMET,HE,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,HE1,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,1HE,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,HE1,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,HE2,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,2HE,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,HE2,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,HE3,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,3HE,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,HE3,0.19473435906583933,1.4330003173303911,0.0,0.0,1.4330003173303911,0.0,1.4330003173303911
cMET,O2,-0.5820477875915145,5.35598881969065,0.0,0.0,5.35598881969065,0.0,5.35598881969065
cMET,O'',-0.5820477875915145,5.35598881969065,0.0,0.0,5.35598881969065,0.0,5.35598881969065
cMET,OXT,-0.5820477875915145,5.35598881969065,0.0,0.0,5.35598881969065,0.0,5.35598881969065
cMET,OT2,-0.5820477875915145,5.35598881969065,0.0,0.0,5.35598881969065,0.0,5.35598881969065
cMET,HO,0.42440998454176604,1.458709211052156,0.0,0.0,1.458709211052156,0.0,1.458709211052156
cMET,H'',0.42440998454176604,1.458709211052156,0.0,0.0,1.458709211052156,0.0,1.458709211052156
cMET,HXT,0.42440998454176604,1.458709211052156,0.0,0.0,1.458709211052156,0.0,1.458709211052156
cPHE,N,-0.41608266370019414,7.905548843658725,0.0,0.0,7.905548843658725,0.0,7.905548843658725
cPHE,HN,0.26523007012294847,1.2663187692947606,0.0,0.0,1.2663187692947606,0.0,1.2663187692947606
cPHE,H,0.26523007012294847,1.2663187692947606,0.0,0.0,1.2663187692947606,0.0,1.2663187692947606
cPHE,CA,0.11784470084591266,8.0772335128895,0.0,0.0,8.0772335128895,0.0,8.0772335128895
cPHE,HA,0.10181287856196021,1.521489552299891,0.0,0.0,1.521489552299891,0.0,1.521489552299891
cPHE,CB,-0.3009917994387609,8.322421867670815,0.0,0.0,8.322421867670815,0.0,8.322421867670815
cPHE,C,0.6058204569308295,6.9490160971139305,0.0,0.0,6.9490160971139305,0.0,6.9490160971139305
cPHE,HB,0.10783887183822467,1.4271162495484953,0.0,0.0,1.4271162495484953,0.0,1.4271162495484953
cPHE,HB1,0.10783887183822467,1.4271162495484953,0.0,0.0,1.4271162495484953,0.0,1.4271162495484953
cPHE,1HB,0.10783887183822467,1.4271162495484953,0.0,0.0,1.4271162495484953,0.0,1.4271162495484953
cPHE,HB2,0.10783887183822467,1.4271162495484953,0.0,0.0,1.4271162495484953,0.0,1.4271162495484953
cPHE,2HB,0.10783887183822467,1.4271162495484953,0.0,0.0,1.4271162495484953,0.0,1.4271162495484953
cPHE,HB3,0.10783887183822467,1.4271162495484953,0.0,0.0,1.4271162495484953,0.0,1.4271162495484953
cPHE,3HB,0.10783887183822467,1.4271162495484953,0.0,0.0,1.4271162495484953,0.0,1.4271162495484953
cPHE,CG,0.17969732807993788,9.01630574826434,0.0,0.0,9.01630574826434,0.0,9.01630574826434
cPHE,O1,-0.510998555266608,5.181826758180713,0.0,0.0,5.181826758180713,0.0,5.181826758180713
cPHE,O,-0.510998555266608,5.181826758180713,0.0,0.0,5.181826758180713,0.0,5.181826758180713
cPHE,OT1,-0.510998555266608,5.181826758180713,0.0,0.0,5.181826758180713,0.0,5.181826758180713
cPHE,CD,-0.17815585641752912,8.743574751085177,0.0,0.0,8.743574751085177,0.0,8.743574751085177
cPHE,CD1,-0.17815585641752912,8.743574751085177,0.0,0.0,8.743574751085177,0.0,8.743574751085177
cPHE,CD2,-0.17815585641752912,8.743574751085177,0.0,0.0,8.743574751085177,0.0,8.743574751085177
cPHE,HD,0.1344662727509056,1.5968423013421444,0.0,0.0,1.5968423013421444,0.0,1.5968423013421444
cPHE,HD1,0.1344662727509056,1.5968423013421444,0.0,0.0,1.5968423013421444,0.0,1.5968423013421444
cPHE,HD2,0.1344662727509056,1.5968423013421444,0.0,0.0,1.5968423013421444,0.0,1.5968423013421444
cPHE,CE,-0.16902522821936086,8.843090409222098,0.0,0.0,8.843090409222098,0.0,8.843090409222098
cPHE,CE1,-0.16902522821936086,8.843090409222098,0.0,0.0,8.843090409222098,0.0,8.843090409222098
cPHE,CE2,-0.16902522821936086,8.843090409222098,0.0,0.0,8.843090409222098,0.0,8.843090409222098
cPHE,HE,0.14156982044797273,1.9101256483785998,0.0,0.0,1.9101256483785998,0.0,1.9101256483785998
cPHE,HE1,0.14156982044797273,1.9101256483785998,0.0,0.0,1.9101256483785998,0.0,1.9101256483785998
cPHE,HE2,0.14156982044797273,1.9101256483785998,0.0,0.0,1.9101256483785998,0.0,1.9101256483785998
cPHE,CZ,-0.09131339436844307,8.900914851991297,0.0,0.0,8.900914851991297,0.0,8.900914851991297
cPHE,HZ,0.12189453531175147,2.203316813715762,0.0,0.0,2.203316813715762,0.0,2.203316813715762
cPHE,O2,-0.5672658118458247,5.252720301080691,0.0,0.0,5.252720301080691,0.0,5.252720301080691
cPHE,O'',-0.5672658118458247,5.252720301080691,0.0,0.0,5.252720301080691,0.0,5.252720301080691
cPHE,OXT,-0.5672658118458247,5.252720301080691,0.0,0.0,5.252720301080691,0.0,5.252720301080691
cPHE,OT2,-0.5672658118458247,5.252720301080691,0.0,0.0,5.252720301080691,0.0,5.252720301080691
cPHE,HO,0.4209644939660646,1.420902513446271,0.0,0.0,1.420902513446271,0.0,1.420902513446271
cPHE,H'',0.4209644939660646,1.420902513446271,0.0,0.0,1.420902513446271,0.0,1.420902513446271
cPHE,HXT,0.4209644939660646,1.420902513446271,0.0,0.0,1.420902513446271,0.0,1.420902513446271
cPRO,N,-0.1804533027144483,7.723574899073419,0.0,0.0,7.723574899073419,0.0,7.723574899073419
cPRO,CD,-0.06668634704467921,6.93254449342087,0.0,0.0,6.93254449342087,0.0,6.93254449342087
cPRO,CA,0.04101509944027634,7.719022389853428,0.0,0.0,7.719022389853428,0.0,7.719022389853428
cPRO,HD,0.06711245202572409,1.6353919896208873,0.0,0.0,1.6353919896208873,0.0,1.6353919896208873
cPRO,HD2,0.06711245202572409,1.6353919896208873,0.0,0.0,1.6353919896208873,0.0,1.6353919896208873
cPRO,1HD,0.06711245202572409,1.6353919896208873,0.0,0.0,1.6353919896208873,0.0,1.6353919896208873
cPRO,HD2,0.06711245202572409,1.6353919896208873,0.0,0.0,1.6353919896208873,0.0,1.6353919896208873
cPRO,HD3,0.06711245202572409,1.6353919896208873,0.0,0.0,1.6353919896208873,0.0,1.6353919896208873
cPRO,2HD,0.06711245202572409,1.6353919896208873,0.0,0.0,1.6353919896208873,0.0,1.6353919896208873
cPRO,HD1,0.06711245202572409,1.6353919896208873,0.0,0.0,1.6353919896208873,0.0,1.6353919896208873
cPRO,CG,-0.0725236686080057,7.210334754079837,0.0,0.0,7.210334754079837,0.0,7.210334754079837
cPRO,CB,-0.12242234026907338,7.054468525507434,0.0,0.0,7.054468525507434,0.0,7.054468525507434
cPRO,HA,0.06850963208727176,1.7972025325254062,0.0,0.0,1.7972025325254062,0.0,1.7972025325254062
cPRO,C,0.5996232475863335,7.381272295939345,0.0,0.0,7.381272295939345,0.0,7.381272295939345
cPRO,HG,0.05835973282546679,1.786383552430102,0.0,0.0,1.786383552430102,0.0,1.786383552430102
cPRO,1HG,0.05835973282546679,1.786383552430102,0.0,0.0,1.786383552430102,0.0,1.786383552430102
cPRO,HG1,0.05835973282546679,1.786383552430102,0.0,0.0,1.786383552430102,0.0,1.786383552430102
cPRO,HG2,0.05835973282546679,1.786383552430102,0.0,0.0,1.786383552430102,0.0,1.786383552430102
cPRO,2HG,0.05835973282546679,1.786383552430102,0.0,0.0,1.786383552430102,0.0,1.786383552430102
cPRO,HG3,0.05835973282546679,1.786383552430102,0.0,0.0,1.786383552430102,0.0,1.786383552430102
cPRO,3HG,0.05835973282546679,1.786383552430102,0.0,0.0,1.786383552430102,0.0,1.786383552430102
cPRO,HB,0.07331922038946294,1.6993974242400396,0.0,0.0,1.6993974242400396,0.0,1.6993974242400396
cPRO,HB1,0.07331922038946294,1.6993974242400396,0.0,0.0,1.6993974242400396,0.0,1.6993974242400396
cPRO,1HB,0.07331922038946294,1.6993974242400396,0.0,0.0,1.6993974242400396,0.0,1.6993974242400396
cPRO,HB2,0.07331922038946294,1.6993974242400396,0.0,0.0,1.6993974242400396,0.0,1.6993974242400396
cPRO,2HB,0.07331922038946294,1.6993974242400396,0.0,0.0,1.6993974242400396,0.0,1.6993974242400396
cPRO,HB3,0.07331922038946294,1.6993974242400396,0.0,0.0,1.6993974242400396,0.0,1.6993974242400396
cPRO,3HB,0.07331922038946294,1.6993974242400396,0.0,0.0,1.6993974242400396,0.0,1.6993974242400396
cPRO,O1,-0.5133942475818029,5.333019073818841,0.0,0.0,5.333019073818841,0.0,5.333019073818841
cPRO,O,-0.5133942475818029,5.333019073818841,0.0,0.0,5.333019073818841,0.0,5.333019073818841
cPRO,OT1,-0.5133942475818029,5.333019073818841,0.0,0.0,5.333019073818841,0.0,5.333019073818841
cPRO,O2,-0.5777075835780718,5.738256769246327,0.0,0.0,5.738256769246327,0.0,5.738256769246327
cPRO,O'',-0.5777075835780718,5.738256769246327,0.0,0.0,5.738256769246327,0.0,5.738256769246327
cPRO,OXT,-0.5777075835780718,5.738256769246327,0.0,0.0,5.738256769246327,0.0,5.738256769246327
cPRO,OT2,-0.5777075835780718,5.738256769246327,0.0,0.0,5.738256769246327,0.0,5.738256769246327
cPRO,HO,0.4264567002008921,1.523255034092343,0.0,0.0,1.523255034092343,0.0,1.523255034092343
cPRO,H'',0.4264567002008921,1.523255034092343,0.0,0.0,1.523255034092343,0.0,1.523255034092343
cPRO,HXT,0.4264567002008921,1.523255034092343,0.0,0.0,1.523255034092343,0.0,1.523255034092343
cPRO,H,0.4264567002008921,1.523255034092343,0.0,0.0,1.523255034092343,0.0,1.523255034092343
cSER,N,-0.37820418885325763,7.678187509093827,0.0,0.0,7.678187509093827,0.0,7.678187509093827
cSER,HN,0.26863202834976907,1.5036638929646828,0.0,0.0,1.5036638929646828,0.0,1.5036638929646828
cSER,H,0.26863202834976907,1.5036638929646828,0.0,0.0,1.5036638929646828,0.0,1.5036638929646828
cSER,CA,-0.011979366735489713,8.156509458350342,0.0,0.0,8.156509458350342,0.0,8.156509458350342
cSER,HA,0.12847345030231125,1.9267169826781554,0.0,0.0,1.9267169826781554,0.0,1.9267169826781554
cSER,CB,0.04783585172705515,7.400021161064008,0.0,0.0,7.400021161064008,0.0,7.400021161064008
cSER,C,0.6227140458927191,7.43315548345184,0.0,0.0,7.43315548345184,0.0,7.43315548345184
cSER,HB,0.05413543138361796,2.0389755270613685,0.0,0.0,2.0389755270613685,0.0,2.0389755270613685
cSER,HB1,0.05413543138361796,2.0389755270613685,0.0,0.0,2.0389755270613685,0.0,2.0389755270613685
cSER,1HB,0.05413543138361796,2.0389755270613685,0.0,0.0,2.0389755270613685,0.0,2.0389755270613685
cSER,HB2,0.05413543138361796,2.0389755270613685,0.0,0.0,2.0389755270613685,0.0,2.0389755270613685
cSER,2HB,0.05413543138361796,2.0389755270613685,0.0,0.0,2.0389755270613685,0.0,2.0389755270613685
cSER,HB3,0.05413543138361796,2.0389755270613685,0.0,0.0,2.0389755270613685,0.0,2.0389755270613685
cSER,3HB,0.05413543138361796,2.0389755270613685,0.0,0.0,2.0389755270613685,0.0,2.0389755270613685
cSER,OG,-0.523240772186812,5.725421955251306,0.0,0.0,5.725421955251306,0.0,5.725421955251306
cSER,O1,-0.5061653931552226,5.693772266453154,0.0,0.0,5.693772266453154,0.0,5.693772266453154
cSER,O,-0.5061653931552226,5.693772266453154,0.0,0.0,5.693772266453154,0.0,5.693772266453154
cSER,OT1,-0.5061653931552226,5.693772266453154,0.0,0.0,5.693772266453154,0.0,5.693772266453154
cSER,HG,0.3798222023364084,1.5818770898027614,0.0,0.0,1.5818770898027614,0.0,1.5818770898027614
cSER,HG1,0.3798222023364084,1.5818770898027614,0.0,0.0,1.5818770898027614,0.0,1.5818770898027614
cSER,O2,-0.5539535113157958,5.500364999724998,0.0,0.0,5.500364999724998,0.0,5.500364999724998
cSER,O'',-0.5539535113157958,5.500364999724998,0.0,0.0,5.500364999724998,0.0,5.500364999724998
cSER,OXT,-0.5539535113157958,5.500364999724998,0.0,0.0,5.500364999724998,0.0,5.500364999724998
cSER,OT2,-0.5539535113157958,5.500364999724998,0.0,0.0,5.500364999724998,0.0,5.500364999724998
cSER,HO,0.41779479087107885,1.5950363420749143,0.0,0.0,1.5950363420749143,0.0,1.5950363420749143
cSER,H'',0.41779479087107885,1.5950363420749143,0.0,0.0,1.5950363420749143,0.0,1.5950363420749143
cSER,HXT,0.41779479087107885,1.5950363420749143,0.0,0.0,1.5950363420749143,0.0,1.5950363420749143
cTHR,N,-0.38534448697540025,7.598397164816945,0.0,0.0,7.598397164816945,0.0,7.598397164816945
cTHR,HN,0.26716561049449694,1.2508408521465557,0.0,0.0,1.2508408521465557,0.0,1.2508408521465557
cTHR,H,0.26716561049449694,1.2508408521465557,0.0,0.0,1.2508408521465557,0.0,1.2508408521465557
cTHR,CA,-0.007848031610732787,8.075804414915972,0.0,0.0,8.075804414915972,0.0,8.075804414915972
cTHR,HA,0.12766902213755232,1.7094645491354952,0.0,0.0,1.7094645491354952,0.0,1.7094645491354952
cTHR,CB,0.28378716774895885,7.337053455236951,0.0,0.0,7.337053455236951,0.0,7.337053455236951
cTHR,C,0.6245971456593876,7.164348405231133,0.0,0.0,7.164348405231133,0.0,7.164348405231133
cTHR,HB,0.009977200973226486,1.8667727309301407,0.0,0.0,1.8667727309301407,0.0,1.8667727309301407
cTHR,HB1,0.009977200973226486,1.8667727309301407,0.0,0.0,1.8667727309301407,0.0,1.8667727309301407
cTHR,1HB,0.009977200973226486,1.8667727309301407,0.0,0.0,1.8667727309301407,0.0,1.8667727309301407
cTHR,HB2,0.009977200973226486,1.8667727309301407,0.0,0.0,1.8667727309301407,0.0,1.8667727309301407
cTHR,2HB,0.009977200973226486,1.8667727309301407,0.0,0.0,1.8667727309301407,0.0,1.8667727309301407
cTHR,HB3,0.009977200973226486,1.8667727309301407,0.0,0.0,1.8667727309301407,0.0,1.8667727309301407
cTHR,3HB,0.009977200973226486,1.8667727309301407,0.0,0.0,1.8667727309301407,0.0,1.8667727309301407
cTHR,CG,-0.4110395938960961,7.641465250042576,0.0,0.0,7.641465250042576,0.0,7.641465250042576
cTHR,CG2,-0.4110395938960961,7.641465250042576,0.0,0.0,7.641465250042576,0.0,7.641465250042576
cTHR,OG,-0.5827012768452915,5.535661529627286,0.0,0.0,5.535661529627286,0.0,5.535661529627286
cTHR,OG1,-0.5827012768452915,5.535661529627286,0.0,0.0,5.535661529627286,0.0,5.535661529627286
cTHR,O1,-0.5133407894722892,5.48213951650339,0.0,0.0,5.48213951650339,0.0,5.48213951650339
cTHR,O,-0.5133407894722892,5.48213951650339,0.0,0.0,5.48213951650339,0.0,5.48213951650339
cTHR,OT1,-0.5133407894722892,5.48213951650339,0.0,0.0,5.48213951650339,0.0,5.48213951650339
cTHR,HG2,0.11572929906564239,1.6762579946032687,0.0,0.0,1.6762579946032687,0.0,1.6762579946032687
cTHR,HG21,0.11572929906564239,1.6762579946032687,0.0,0.0,1.6762579946032687,0.0,1.6762579946032687
cTHR,1HG2,0.11572929906564239,1.6762579946032687,0.0,0.0,1.6762579946032687,0.0,1.6762579946032687
cTHR,HG22,0.11572929906564239,1.6762579946032687,0.0,0.0,1.6762579946032687,0.0,1.6762579946032687
cTHR,2HG2,0.11572929906564239,1.6762579946032687,0.0,0.0,1.6762579946032687,0.0,1.6762579946032687
cTHR,HG23,0.11572929906564239,1.6762579946032687,0.0,0.0,1.6762579946032687,0.0,1.6762579946032687
cTHR,3HG2,0.11572929906564239,1.6762579946032687,0.0,0.0,1.6762579946032687,0.0,1.6762579946032687
cTHR,HG1,0.38524773829855524,1.453109539252651,0.0,0.0,1.453109539252651,0.0,1.453109539252651
cTHR,HG1,0.38524773829855524,1.453109539252651,0.0,0.0,1.453109539252651,0.0,1.453109539252651
cTHR,HOG1,0.38524773829855524,1.453109539252651,0.0,0.0,1.453109539252651,0.0,1.453109539252651
cTHR,O2,-0.566292781757384,5.338423839779118,0.0,0.0,5.338423839779118,0.0,5.338423839779118
cTHR,O'',-0.566292781757384,5.338423839779118,0.0,0.0,5.338423839779118,0.0,5.338423839779118
cTHR,OXT,-0.566292781757384,5.338423839779118,0.0,0.0,5.338423839779118,0.0,5.338423839779118
cTHR,OT2,-0.566292781757384,5.338423839779118,0.0,0.0,5.338423839779118,0.0,5.338423839779118
cTHR,HO,0.4209351780480892,1.4871721792361914,0.0,0.0,1.4871721792361914,0.0,1.4871721792361914
cTHR,H'',0.4209351780480892,1.4871721792361914,0.0,0.0,1.4871721792361914,0.0,1.4871721792361914
cTHR,HXT,0.4209351780480892,1.4871721792361914,0.0,0.0,1.4871721792361914,0.0,1.4871721792361914
cTRP,N,-0.42683361799793645,7.830412145341034,0.0,0.0,7.830412145341034,0.0,7.830412145341034
cTRP,HN,0.2706477438323561,1.1348019881332654,0.0,0.0,1.1348019881332654,0.0,1.1348019881332654
cTRP,H,0.2706477438323561,1.1348019881332654,0.0,0.0,1.1348019881332654,0.0,1.1348019881332654
cTRP,CA,0.11091517155674704,7.967421831437001,0.0,0.0,7.967421831437001,0.0,7.967421831437001
cTRP,HA,0.10457323793142406,1.4093832911099877,0.0,0.0,1.4093832911099877,0.0,1.4093832911099877
cTRP,CB,-0.2998245609525028,8.147992333209116,0.0,0.0,8.147992333209116,0.0,8.147992333209116
cTRP,C,0.6193501546818772,6.698050019395214,0.0,0.0,6.698050019395214,0.0,6.698050019395214
cTRP,HB,0.11884320599210024,1.1266483104120213,0.0,0.0,1.1266483104120213,0.0,1.1266483104120213
cTRP,HB1,0.11884320599210024,1.1266483104120213,0.0,0.0,1.1266483104120213,0.0,1.1266483104120213
cTRP,1HB,0.11884320599210024,1.1266483104120213,0.0,0.0,1.1266483104120213,0.0,1.1266483104120213
cTRP,HB2,0.11884320599210024,1.1266483104120213,0.0,0.0,1.1266483104120213,0.0,1.1266483104120213
cTRP,2HB,0.11884320599210024,1.1266483104120213,0.0,0.0,1.1266483104120213,0.0,1.1266483104120213
cTRP,HB3,0.11884320599210024,1.1266483104120213,0.0,0.0,1.1266483104120213,0.0,1.1266483104120213
cTRP,3HB,0.11884320599210024,1.1266483104120213,0.0,0.0,1.1266483104120213,0.0,1.1266483104120213
cTRP,CG,-0.011616487915782736,9.440062917172982,0.0,0.0,9.440062917172982,0.0,9.440062917172982
cTRP,O1,-0.515338831517165,5.080092071530374,0.0,0.0,5.080092071530374,0.0,5.080092071530374
cTRP,O,-0.515338831517165,5.080092071530374,0.0,0.0,5.080092071530374,0.0,5.080092071530374
cTRP,OT1,-0.515338831517165,5.080092071530374,0.0,0.0,5.080092071530374,0.0,5.080092071530374
cTRP,CD1,-0.19284588720101595,9.044233968239451,0.0,0.0,9.044233968239451,0.0,9.044233968239451
cTRP,CD2,0.13331445877089765,9.349897044935334,0.0,0.0,9.349897044935334,0.0,9.349897044935334
cTRP,HD,0.18834336901904894,1.8830298334713351,0.0,0.0,1.8830298334713351,0.0,1.8830298334713351
cTRP,HD1,0.18834336901904894,1.8830298334713351,0.0,0.0,1.8830298334713351,0.0,1.8830298334713351
cTRP,NE,-0.38791280341278656,7.1410176367987175,0.0,0.0,7.1410176367987175,0.0,7.1410176367987175
cTRP,NE1,-0.38791280341278656,7.1410176367987175,0.0,0.0,7.1410176367987175,0.0,7.1410176367987175
cTRP,CE2,0.1868633404368819,9.297539423283006,0.0,0.0,9.297539423283006,0.0,9.297539423283006
cTRP,CE3,-0.2260481580690038,9.268350680940573,0.0,0.0,9.268350680940573,0.0,9.268350680940573
cTRP,HE1,0.3533464320033358,1.3835212197530347,0.0,0.0,1.3835212197530347,0.0,1.3835212197530347
cTRP,CZ2,-0.26618919810558267,9.712487621957347,0.0,0.0,9.712487621957347,0.0,9.712487621957347
cTRP,CZ3,-0.18461320118314714,9.372717834696356,0.0,0.0,9.372717834696356,0.0,9.372717834696356
cTRP,HE3,0.1528394630989804,1.6563445301832744,0.0,0.0,1.6563445301832744,0.0,1.6563445301832744
cTRP,HZ2,0.15629176677227477,2.014755510137,0.0,0.0,2.014755510137,0.0,2.014755510137
cTRP,CH2,-0.13590474932953397,9.210696690737,0.0,0.0,9.210696690737,0.0,9.210696690737
cTRP,HZ3,0.14348046801350794,2.07456414930275,0.0,0.0,2.07456414930275,0.0,2.07456414930275
cTRP,HH2,0.13892231854221404,2.1841737653591156,0.0,0.0,2.1841737653591156,0.0,2.1841737653591156
cTRP,O2,-0.5678113899262126,5.0240021936799835,0.0,0.0,5.0240021936799835,0.0,5.0240021936799835
cTRP,O'',-0.5678113899262126,5.0240021936799835,0.0,0.0,5.0240021936799835,0.0,5.0240021936799835
cTRP,OXT,-0.5678113899262126,5.0240021936799835,0.0,0.0,5.0240021936799835,0.0,5.0240021936799835
cTRP,OT2,-0.5678113899262126,5.0240021936799835,0.0,0.0,5.0240021936799835,0.0,5.0240021936799835
cTRP,HO,0.41836454896692327,1.3637861835917724,0.0,0.0,1.3637861835917724,0.0,1.3637861835917724
cTRP,H'',0.41836454896692327,1.3637861835917724,0.0,0.0,1.3637861835917724,0.0,1.3637861835917724
cTRP,HXT,0.41836454896692327,1.3637861835917724,0.0,0.0,1.3637861835917724,0.0,1.3637861835917724
cTYR,N,-0.41065770628458603,7.933656184443641,0.0,0.0,7.933656184443641,0.0,7.933656184443641
cTYR,HN,0.26322462885117565,1.2442338876909267,0.0,0.0,1.2442338876909267,0.0,1.2442338876909267
cTYR,H,0.26322462885117565,1.2442338876909267,0.0,0.0,1.2442338876909267,0.0,1.2442338876909267
cTYR,CA,0.08160121931105156,8.118556391170452,0.0,0.0,8.118556391170452,0.0,8.118556391170452
cTYR,HA,0.10985907543427961,1.4963762480984857,0.0,0.0,1.4963762480984857,0.0,1.4963762480984857
cTYR,CB,-0.2692409913215268,8.429752019165795,0.0,0.0,8.429752019165795,0.0,8.429752019165795
cTYR,C,0.6163796551135465,6.9356012370660896,0.0,0.0,6.9356012370660896,0.0,6.9356012370660896
cTYR,HB,0.1031909392803462,1.38258316032253,0.0,0.0,1.38258316032253,0.0,1.38258316032253
cTYR,HB1,0.1031909392803462,1.38258316032253,0.0,0.0,1.38258316032253,0.0,1.38258316032253
cTYR,1HB,0.1031909392803462,1.38258316032253,0.0,0.0,1.38258316032253,0.0,1.38258316032253
cTYR,HB2,0.1031909392803462,1.38258316032253,0.0,0.0,1.38258316032253,0.0,1.38258316032253
cTYR,2HB,0.1031909392803462,1.38258316032253,0.0,0.0,1.38258316032253,0.0,1.38258316032253
cTYR,HB3,0.1031909392803462,1.38258316032253,0.0,0.0,1.38258316032253,0.0,1.38258316032253
cTYR,3HB,0.1031909392803462,1.38258316032253,0.0,0.0,1.38258316032253,0.0,1.38258316032253
cTYR,CG,0.14815090536778486,9.212442842149938,0.0,0.0,9.212442842149938,0.0,9.212442842149938
cTYR,O1,-0.5128866157538577,5.15843962004147,0.0,0.0,5.15843962004147,0.0,5.15843962004147
cTYR,O,-0.5128866157538577,5.15843962004147,0.0,0.0,5.15843962004147,0.0,5.15843962004147
cTYR,OT1,-0.5128866157538577,5.15843962004147,0.0,0.0,5.15843962004147,0.0,5.15843962004147
cTYR,CD,-0.20059968433516293,8.792906392831371,0.0,0.0,8.792906392831371,0.0,8.792906392831371
cTYR,CD1,-0.20059968433516293,8.792906392831371,0.0,0.0,8.792906392831371,0.0,8.792906392831371
cTYR,CD2,-0.20059968433516293,8.792906392831371,0.0,0.0,8.792906392831371,0.0,8.792906392831371
cTYR,HD,0.15305847542506446,1.5441084272015593,0.0,0.0,1.5441084272015593,0.0,1.5441084272015593
cTYR,HD1,0.15305847542506446,1.5441084272015593,0.0,0.0,1.5441084272015593,0.0,1.5441084272015593
cTYR,HD2,0.15305847542506446,1.5441084272015593,0.0,0.0,1.5441084272015593,0.0,1.5441084272015593
cTYR,CE,-0.2679480988464543,9.083297026745667,0.0,0.0,9.083297026745667,0.0,9.083297026745667
cTYR,CE1,-0.2679480988464543,9.083297026745667,0.0,0.0,9.083297026745667,0.0,9.083297026745667
cTYR,CE2,-0.2679480988464543,9.083297026745667,0.0,0.0,9.083297026745667,0.0,9.083297026745667
cTYR,HE,0.1741532803133552,1.8363677495636845,0.0,0.0,1.8363677495636845,0.0,1.8363677495636845
cTYR,HE1,0.1741532803133552,1.8363677495636845,0.0,0.0,1.8363677495636845,0.0,1.8363677495636845
cTYR,HE2,0.1741532803133552,1.8363677495636845,0.0,0.0,1.8363677495636845,0.0,1.8363677495636845
cTYR,CZ,0.3243648637698118,8.705444088835236,0.0,0.0,8.705444088835236,0.0,8.705444088835236
cTYR,OH,-0.4676559875635315,5.989820851759867,0.0,0.0,5.989820851759867,0.0,5.989820851759867
cTYR,HH,0.3385196019158205,1.1867361068476272,0.0,0.0,1.1867361068476272,0.0,1.1867361068476272
cTYR,O2,-0.5628138499301393,5.247009310115261,0.0,0.0,5.247009310115261,0.0,5.247009310115261
cTYR,O'',-0.5628138499301393,5.247009310115261,0.0,0.0,5.247009310115261,0.0,5.247009310115261
cTYR,OXT,-0.5628138499301393,5.247009310115261,0.0,0.0,5.247009310115261,0.0,5.247009310115261
cTYR,OT2,-0.5628138499301393,5.247009310115261,0.0,0.0,5.247009310115261,0.0,5.247009310115261
cTYR,HO,0.4174453774158737,1.4041479988972203,0.0,0.0,1.4041479988972203,0.0,1.4041479988972203
cTYR,H'',0.4174453774158737,1.4041479988972203,0.0,0.0,1.4041479988972203,0.0,1.4041479988972203
cTYR,HXT,0.4174453774158737,1.4041479988972203,0.0,0.0,1.4041479988972203,0.0,1.4041479988972203
cVAL,N,-0.40862803716008056,7.5534593325478925,0.0,0.0,7.5534593325478925,0.0,7.5534593325478925
cVAL,HN,0.2590041978129449,1.389339847001878,0.0,0.0,1.389339847001878,0.0,1.389339847001878
cVAL,H,0.2590041978129449,1.389339847001878,0.0,0.0,1.389339847001878,0.0,1.389339847001878
cVAL,CA,-0.027660455113607384,8.077794720315811,0.0,0.0,8.077794720315811,0.0,8.077794720315811
cVAL,HA,0.11586279171637363,1.7518610681328184,0.0,0.0,1.7518610681328184,0.0,1.7518610681328184
cVAL,CB,0.29607419475754776,7.6130465699207495,0.0,0.0,7.6130465699207495,0.0,7.6130465699207495
cVAL,C,0.6556496778852167,7.303827127781448,0.0,0.0,7.303827127781448,0.0,7.303827127781448
cVAL,HB,-0.0025551722762807306,1.8912932543450223,0.0,0.0,1.8912932543450223,0.0,1.8912932543450223
cVAL,HB1,-0.0025551722762807306,1.8912932543450223,0.0,0.0,1.8912932543450223,0.0,1.8912932543450223
cVAL,1HB,-0.0025551722762807306,1.8912932543450223,0.0,0.0,1.8912932543450223,0.0,1.8912932543450223
cVAL,HB2,-0.0025551722762807306,1.8912932543450223,0.0,0.0,1.8912932543450223,0.0,1.8912932543450223
cVAL,2HB,-0.0025551722762807306,1.8912932543450223,0.0,0.0,1.8912932543450223,0.0,1.8912932543450223
cVAL,HB3,-0.0025551722762807306,1.8912932543450223,0.0,0.0,1.8912932543450223,0.0,1.8912932543450223
cVAL,3HB,-0.0025551722762807306,1.8912932543450223,0.0,0.0,1.8912932543450223,0.0,1.8912932543450223
cVAL,CG,-0.4219033378813913,7.571510503520944,0.0,0.0,7.571510503520944,0.0,7.571510503520944
cVAL,CG1,-0.4219033378813913,7.571510503520944,0.0,0.0,7.571510503520944,0.0,7.571510503520944
cVAL,CG2,-0.4219033378813913,7.571510503520944,0.0,0.0,7.571510503520944,0.0,7.571510503520944
cVAL,O1,-0.5342490350138819,5.546706110339454,0.0,0.0,5.546706110339454,0.0,5.546706110339454
cVAL,O,-0.5342490350138819,5.546706110339454,0.0,0.0,5.546706110339454,0.0,5.546706110339454
cVAL,OT1,-0.5342490350138819,5.546706110339454,0.0,0.0,5.546706110339454,0.0,5.546706110339454
cVAL,HG,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,HG11,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,1HG1,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,HG21,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,HG12,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,2HG1,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,HG22,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,HG13,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,3HG1,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,HG23,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,HG21,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,1HG2,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,HG22,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,2HG2,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,HG23,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,3HG2,0.10930717139415146,1.6378173571046686,0.0,0.0,1.6378173571046686,0.0,1.6378173571046686
cVAL,O2,-0.5906327729118216,5.452989439123806,0.0,0.0,5.452989439123806,0.0,5.452989439123806
cVAL,O'',-0.5906327729118216,5.452989439123806,0.0,0.0,5.452989439123806,0.0,5.452989439123806
cVAL,OXT,-0.5906327729118216,5.452989439123806,0.0,0.0,5.452989439123806,0.0,5.452989439123806
cVAL,OT2,-0.5906327729118216,5.452989439123806,0.0,0.0,5.452989439123806,0.0,5.452989439123806
cVAL,HO,0.425098257701463,1.5543978167995656,0.0,0.0,1.5543978167995656,0.0,1.5543978167995656
cVAL,H'',0.425098257701463,1.5543978167995656,0.0,0.0,1.5543978167995656,0.0,1.5543978167995656
cVAL,HXT,0.425098257701463,1.5543978167995656,0.0,0.0,1.5543978167995656,0.0,1.5543978167995656
cASH,N,-0.36761199542870415,7.34343076091856,0.0,0.0,7.34343076091856,0.0,7.34343076091856
cASH,HN,0.26036874190002735,1.247589819167346,0.0,0.0,1.247589819167346,0.0,1.247589819167346
cASH,H,0.26036874190002735,1.247589819167346,0.0,0.0,1.247589819167346,0.0,1.247589819167346
cASH,CA,0.013267485699833092,7.857760859917675,0.0,0.0,7.857760859917675,0.0,7.857760859917675
cASH,HA,0.1284797146340007,1.5085305473854218,0.0,0.0,1.5085305473854218,0.0,1.5085305473854218
cASH,CB,-0.29473770236267605,7.76088692351199,0.0,0.0,7.76088692351199,0.0,7.76088692351199
cASH,C,0.6438652301699694,7.335706654562219,0.0,0.0,7.335706654562219,0.0,7.335706654562219
cASH,HB,0.13427358078973484,1.4283569468406734,0.0,0.0,1.4283569468406734,0.0,1.4283569468406734
cASH,HB1,0.13427358078973484,1.4283569468406734,0.0,0.0,1.4283569468406734,0.0,1.4283569468406734
cASH,1HB,0.13427358078973484,1.4283569468406734,0.0,0.0,1.4283569468406734,0.0,1.4283569468406734
cASH,HB2,0.13427358078973484,1.4283569468406734,0.0,0.0,1.4283569468406734,0.0,1.4283569468406734
cASH,2HB,0.13427358078973484,1.4283569468406734,0.0,0.0,1.4283569468406734,0.0,1.4283569468406734
cASH,HB3,0.13427358078973484,1.4283569468406734,0.0,0.0,1.4283569468406734,0.0,1.4283569468406734
cASH,3HB,0.13427358078973484,1.4283569468406734,0.0,0.0,1.4283569468406734,0.0,1.4283569468406734
cASH,CG,0.6657299561758238,7.338206650249476,0.0,0.0,7.338206650249476,0.0,7.338206650249476
cASH,O1,-0.5170844770324529,5.561017281043637,0.0,0.0,5.561017281043637,0.0,5.561017281043637
cASH,O,-0.5170844770324529,5.561017281043637,0.0,0.0,5.561017281043637,0.0,5.561017281043637
cASH,OT1,-0.5170844770324529,5.561017281043637,0.0,0.0,5.561017281043637,0.0,5.561017281043637
cASH,OD1,-0.49844282797459605,5.244356863099812,0.0,0.0,5.244356863099812,0.0,5.244356863099812
cASH,OD2,-0.5765772720244768,5.7319473604775375,0.0,0.0,5.7319473604775375,0.0,5.7319473604775375
cASH,HD,0.41788760223340143,1.4448446486000954,0.0,0.0,1.4448446486000954,0.0,1.4448446486000954
cASH,HD2,0.41788760223340143,1.4448446486000954,0.0,0.0,1.4448446486000954,0.0,1.4448446486000954
cASH,HD1,0.41788760223340143,1.4448446486000954,0.0,0.0,1.4448446486000954,0.0,1.4448446486000954
cASH,O2,-0.5659332123061795,5.368049090008042,0.0,0.0,5.368049090008042,0.0,5.368049090008042
cASH,O'',-0.5659332123061795,5.368049090008042,0.0,0.0,5.368049090008042,0.0,5.368049090008042
cASH,OXT,-0.5659332123061795,5.368049090008042,0.0,0.0,5.368049090008042,0.0,5.368049090008042
cASH,OT2,-0.5659332123061795,5.368049090008042,0.0,0.0,5.368049090008042,0.0,5.368049090008042
cASH,HO,0.42224159473656003,1.4731047577431893,0.0,0.0,1.4731047577431893,0.0,1.4731047577431893
cASH,H'',0.42224159473656003,1.4731047577431893,0.0,0.0,1.4731047577431893,0.0,1.4731047577431893
cASH,HXT,0.42224159473656003,1.4731047577431893,0.0,0.0,1.4731047577431893,0.0,1.4731047577431893
cCYD,N,-0.6159060536060815,8.40159059937051,0.0,0.0,8.40159059937051,0.0,8.40159059937051
cCYM,N,-0.6159060536060815,8.40159059937051,0.0,0.0,8.40159059937051,0.0,8.40159059937051
cCYD,HN,0.32323180471879076,0.8466002277927323,0.0,0.0,0.8466002277927323,0.0,0.8466002277927323
cCYM,HN,0.32323180471879076,0.8466002277927323,0.0,0.0,0.8466002277927323,0.0,0.8466002277927323
cCYD,H,0.32323180471879076,0.8466002277927323,0.0,0.0,0.8466002277927323,0.0,0.8466002277927323
cCYM,H,0.32323180471879076,0.8466002277927323,0.0,0.0,0.8466002277927323,0.0,0.8466002277927323
cCYD,CA,0.20489316419744746,12.132628770145478,0.0,0.0,12.132628770145478,0.0,12.132628770145478
cCYM,CA,0.20489316419744746,12.132628770145478,0.0,0.0,12.132628770145478,0.0,12.132628770145478
cCYD,HA,0.06979878260744764,1.2992942287801776,0.0,0.0,1.2992942287801776,0.0,1.2992942287801776
cCYM,HA,0.06979878260744764,1.2992942287801776,0.0,0.0,1.2992942287801776,0.0,1.2992942287801776
cCYD,CB,-0.08849314081140587,13.680344598852496,0.0,0.0,13.680344598852496,0.0,13.680344598852496
cCYM,CB,-0.08849314081140587,13.680344598852496,0.0,0.0,13.680344598852496,0.0,13.680344598852496
cCYD,C,0.6203310579532797,8.372776322163894,0.0,0.0,8.372776322163894,0.0,8.372776322163894
cCYM,C,0.6203310579532797,8.372776322163894,0.0,0.0,8.372776322163894,0.0,8.372776322163894
cCYD,HB,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYM,HB,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYD,HB1,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYM,HB1,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYD,1HB,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYM,1HB,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYD,HB2,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYM,HB2,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYD,2HB,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYM,2HB,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYD,HB3,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYM,HB3,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYD,3HB,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYM,3HB,0.05096208282934876,0.8023692246359634,0.0,0.0,0.8023692246359634,0.0,0.8023692246359634
cCYD,SG,-0.8549675647149168,32.05491203050788,0.0,0.0,32.05491203050788,0.0,32.05491203050788
cCYM,SG,-0.8549675647149168,32.05491203050788,0.0,0.0,32.05491203050788,0.0,32.05491203050788
cCYD,S,-0.8549675647149168,32.05491203050788,0.0,0.0,32.05491203050788,0.0,32.05491203050788
cCYM,S,-0.8549675647149168,32.05491203050788,0.0,0.0,32.05491203050788,0.0,32.05491203050788
cCYD,O1,-0.5681789198668289,5.5842108680705005,0.0,0.0,5.5842108680705005,0.0,5.5842108680705005
cCYM,O1,-0.5681789198668289,5.5842108680705005,0.0,0.0,5.5842108680705005,0.0,5.5842108680705005
cCYD,O,-0.5681789198668289,5.5842108680705005,0.0,0.0,5.5842108680705005,0.0,5.5842108680705005
cCYM,O,-0.5681789198668289,5.5842108680705005,0.0,0.0,5.5842108680705005,0.0,5.5842108680705005
cCYD,OT1,-0.5681789198668289,5.5842108680705005,0.0,0.0,5.5842108680705005,0.0,5.5842108680705005
cCYM,OT1,-0.5681789198668289,5.5842108680705005,0.0,0.0,5.5842108680705005,0.0,5.5842108680705005
cCYD,O2,-0.5848239543783244,5.604279890734943,0.0,0.0,5.604279890734943,0.0,5.604279890734943
cCYM,O2,-0.5848239543783244,5.604279890734943,0.0,0.0,5.604279890734943,0.0,5.604279890734943
cCYD,O'',-0.5848239543783244,5.604279890734943,0.0,0.0,5.604279890734943,0.0,5.604279890734943
cCYM,O'',-0.5848239543783244,5.604279890734943,0.0,0.0,5.604279890734943,0.0,5.604279890734943
cCYD,OXT,-0.5848239543783244,5.604279890734943,0.0,0.0,5.604279890734943,0.0,5.604279890734943
cCYM,OXT,-0.5848239543783244,5.604279890734943,0.0,0.0,5.604279890734943,0.0,5.604279890734943
cCYD,OT2,-0.5848239543783244,5.604279890734943,0.0,0.0,5.604279890734943,0.0,5.604279890734943
cCYM,OT2,-0.5848239543783244,5.604279890734943,0.0,0.0,5.604279890734943,0.0,5.604279890734943
cCYD,HO,0.39219065824189414,1.5349042075836565,0.0,0.0,1.5349042075836565,0.0,1.5349042075836565
cCYM,HO,0.39219065824189414,1.5349042075836565,0.0,0.0,1.5349042075836565,0.0,1.5349042075836565
cCYD,H'',0.39219065824189414,1.5349042075836565,0.0,0.0,1.5349042075836565,0.0,1.5349042075836565
cCYM,H'',0.39219065824189414,1.5349042075836565,0.0,0.0,1.5349042075836565,0.0,1.5349042075836565
cCYD,HXT,0.39219065824189414,1.5349042075836565,0.0,0.0,1.5349042075836565,0.0,1.5349042075836565
cCYM,HXT,0.39219065824189414,1.5349042075836565,0.0,0.0,1.5349042075836565,0.0,1.5349042075836565
cCYX,N,-0.35696646687583417,7.727709419854483,0.0,0.0,7.727709419854483,0.0,7.727709419854483
cCYS1,N,-0.35696646687583417,7.727709419854483,0.0,0.0,7.727709419854483,0.0,7.727709419854483
cCYS2,N,-0.35696646687583417,7.727709419854483,0.0,0.0,7.727709419854483,0.0,7.727709419854483
cCYX,HN,0.25750875139666346,1.1340109322027074,0.0,0.0,1.1340109322027074,0.0,1.1340109322027074
cCYS1,HN,0.25750875139666346,1.1340109322027074,0.0,0.0,1.1340109322027074,0.0,1.1340109322027074
cCYS2,HN,0.25750875139666346,1.1340109322027074,0.0,0.0,1.1340109322027074,0.0,1.1340109322027074
cCYX,H,0.25750875139666346,1.1340109322027074,0.0,0.0,1.1340109322027074,0.0,1.1340109322027074
cCYS1,H,0.25750875139666346,1.1340109322027074,0.0,0.0,1.1340109322027074,0.0,1.1340109322027074
cCYS2,H,0.25750875139666346,1.1340109322027074,0.0,0.0,1.1340109322027074,0.0,1.1340109322027074
cCYX,CA,0.02578993209842916,8.988132931085529,0.0,0.0,8.988132931085529,0.0,8.988132931085529
cCYS1,CA,0.02578993209842916,8.988132931085529,0.0,0.0,8.988132931085529,0.0,8.988132931085529
cCYS2,CA,0.02578993209842916,8.988132931085529,0.0,0.0,8.988132931085529,0.0,8.988132931085529
cCYX,HA,0.1541399860528673,1.5058496466739328,0.0,0.0,1.5058496466739328,0.0,1.5058496466739328
cCYS1,HA,0.1541399860528673,1.5058496466739328,0.0,0.0,1.5058496466739328,0.0,1.5058496466739328
cCYS2,HA,0.1541399860528673,1.5058496466739328,0.0,0.0,1.5058496466739328,0.0,1.5058496466739328
cCYX,CB,-0.40075045455513564,9.499195385086383,0.0,0.0,9.499195385086383,0.0,9.499195385086383
cCYS1,CB,-0.40075045455513564,9.499195385086383,0.0,0.0,9.499195385086383,0.0,9.499195385086383
cCYS2,CB,-0.40075045455513564,9.499195385086383,0.0,0.0,9.499195385086383,0.0,9.499195385086383
cCYX,C,0.5985240160460624,7.637643646896594,0.0,0.0,7.637643646896594,0.0,7.637643646896594
cCYS1,C,0.5985240160460624,7.637643646896594,0.0,0.0,7.637643646896594,0.0,7.637643646896594
cCYS2,C,0.5985240160460624,7.637643646896594,0.0,0.0,7.637643646896594,0.0,7.637643646896594
cCYX,HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS1,HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS2,HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYX,HB1,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS1,HB1,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS2,HB1,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYX,1HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS1,1HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS2,1HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYX,HB2,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS1,HB2,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS2,HB2,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYX,2HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS1,2HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS2,2HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYX,HB3,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS1,HB3,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS2,HB3,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYX,3HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS1,3HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYS2,3HB,0.18648395952229213,1.1701860505870434,0.0,0.0,1.1701860505870434,0.0,1.1701860505870434
cCYX,SG,-0.03445738217741714,20.490403311689022,0.0,0.0,20.490403311689022,0.0,20.490403311689022
cCYS1,SG,-0.03445738217741714,20.490403311689022,0.0,0.0,20.490403311689022,0.0,20.490403311689022
cCYS2,SG,-0.03445738217741714,20.490403311689022,0.0,0.0,20.490403311689022,0.0,20.490403311689022
cCYX,S,-0.03445738217741714,20.490403311689022,0.0,0.0,20.490403311689022,0.0,20.490403311689022
cCYS1,S,-0.03445738217741714,20.490403311689022,0.0,0.0,20.490403311689022,0.0,20.490403311689022
cCYS2,S,-0.03445738217741714,20.490403311689022,0.0,0.0,20.490403311689022,0.0,20.490403311689022
cCYX,O1,-0.49180513130068343,5.601272800592523,0.0,0.0,5.601272800592523,0.0,5.601272800592523
cCYS1,O1,-0.49180513130068343,5.601272800592523,0.0,0.0,5.601272800592523,0.0,5.601272800592523
cCYS2,O1,-0.49180513130068343,5.601272800592523,0.0,0.0,5.601272800592523,0.0,5.601272800592523
cCYX,O,-0.49180513130068343,5.601272800592523,0.0,0.0,5.601272800592523,0.0,5.601272800592523
cCYS1,O,-0.49180513130068343,5.601272800592523,0.0,0.0,5.601272800592523,0.0,5.601272800592523
cCYS2,O,-0.49180513130068343,5.601272800592523,0.0,0.0,5.601272800592523,0.0,5.601272800592523
cCYX,OT1,-0.49180513130068343,5.601272800592523,0.0,0.0,5.601272800592523,0.0,5.601272800592523
cCYS1,OT1,-0.49180513130068343,5.601272800592523,0.0,0.0,5.601272800592523,0.0,5.601272800592523
cCYS2,OT1,-0.49180513130068343,5.601272800592523,0.0,0.0,5.601272800592523,0.0,5.601272800592523
cCYX,O2,-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYS1,O2,-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYS2,O2,-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYX,O'',-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYS1,O'',-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYS2,O'',-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYX,OXT,-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYS1,OXT,-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYS2,OXT,-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYX,OT2,-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYS1,OT2,-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYS2,OT2,-0.5417755370523393,1.7470814847569531,0.0,0.0,1.7470814847569531,0.0,1.7470814847569531
cCYX,HO,0.4168243673228031,1.9551347105871022,0.0,0.0,1.9551347105871022,0.0,1.9551347105871022
cCYS1,HO,0.4168243673228031,1.9551347105871022,0.0,0.0,1.9551347105871022,0.0,1.9551347105871022
cCYS2,HO,0.4168243673228031,1.9551347105871022,0.0,0.0,1.9551347105871022,0.0,1.9551347105871022
cCYX,H'',0.4168243673228031,1.9551347105871022,0.0,0.0,1.9551347105871022,0.0,1.9551347105871022
cCYS1,H'',0.4168243673228031,1.9551347105871022,0.0,0.0,1.9551347105871022,0.0,1.9551347105871022
cCYS2,H'',0.4168243673228031,1.9551347105871022,0.0,0.0,1.9551347105871022,0.0,1.9551347105871022
cCYX,HXT,0.4168243673228031,1.9551347105871022,0.0,0.0,1.9551347105871022,0.0,1.9551347105871022
cCYS1,HXT,0.4168243673228031,1.9551347105871022,0.0,0.0,1.9551347105871022,0.0,1.9551347105871022
cCYS2,HXT,0.4168243673228031,1.9551347105871022,0.0,0.0,1.9551347105871022,0.0,1.9551347105871022
cGLH,N,-0.3916015123581334,7.4066000497030196,0.0,0.0,7.4066000497030196,0.0,7.4066000497030196
cGLH,HN,0.26570468499244815,1.2195690571093407,0.0,0.0,1.2195690571093407,0.0,1.2195690571093407
cGLH,H,0.26570468499244815,1.2195690571093407,0.0,0.0,1.2195690571093407,0.0,1.2195690571093407
cGLH,CA,0.01508935631874983,8.064317158618831,0.0,0.0,8.064317158618831,0.0,8.064317158618831
cGLH,HA,0.11702817881033495,1.6064120780846225,0.0,0.0,1.6064120780846225,0.0,1.6064120780846225
cGLH,CB,-0.15374348615781508,7.509511359995311,0.0,0.0,7.509511359995311,0.0,7.509511359995311
cGLH,C,0.6622821872753605,7.36197603169562,0.0,0.0,7.36197603169562,0.0,7.36197603169562
cGLH,HB,0.0902603484271375,1.3528457880191003,0.0,0.0,1.3528457880191003,0.0,1.3528457880191003
cGLH,HB1,0.0902603484271375,1.3528457880191003,0.0,0.0,1.3528457880191003,0.0,1.3528457880191003
cGLH,1HB,0.0902603484271375,1.3528457880191003,0.0,0.0,1.3528457880191003,0.0,1.3528457880191003
cGLH,HB2,0.0902603484271375,1.3528457880191003,0.0,0.0,1.3528457880191003,0.0,1.3528457880191003
cGLH,2HB,0.0902603484271375,1.3528457880191003,0.0,0.0,1.3528457880191003,0.0,1.3528457880191003
cGLH,HB3,0.0902603484271375,1.3528457880191003,0.0,0.0,1.3528457880191003,0.0,1.3528457880191003
cGLH,3HB,0.0902603484271375,1.3528457880191003,0.0,0.0,1.3528457880191003,0.0,1.3528457880191003
cGLH,CG,-0.16167332155614242,7.776203428754791,0.0,0.0,7.776203428754791,0.0,7.776203428754791
cGLH,O1,-0.529677966731608,5.570697430057381,0.0,0.0,5.570697430057381,0.0,5.570697430057381
cGLH,O,-0.529677966731608,5.570697430057381,0.0,0.0,5.570697430057381,0.0,5.570697430057381
cGLH,OT1,-0.529677966731608,5.570697430057381,0.0,0.0,5.570697430057381,0.0,5.570697430057381
cGLH,HG,0.09183076549898556,1.420715558487471,0.0,0.0,1.420715558487471,0.0,1.420715558487471
cGLH,1HG,0.09183076549898556,1.420715558487471,0.0,0.0,1.420715558487471,0.0,1.420715558487471
cGLH,HG1,0.09183076549898556,1.420715558487471,0.0,0.0,1.420715558487471,0.0,1.420715558487471
cGLH,HG2,0.09183076549898556,1.420715558487471,0.0,0.0,1.420715558487471,0.0,1.420715558487471
cGLH,2HG,0.09183076549898556,1.420715558487471,0.0,0.0,1.420715558487471,0.0,1.420715558487471
cGLH,HG3,0.09183076549898556,1.420715558487471,0.0,0.0,1.420715558487471,0.0,1.420715558487471
cGLH,3HG,0.09183076549898556,1.420715558487471,0.0,0.0,1.420715558487471,0.0,1.420715558487471
cGLH,CD,0.6567160963353564,7.50668597799341,0.0,0.0,7.50668597799341,0.0,7.50668597799341
cGLH,OE1,-0.535402313759786,5.778002929677897,0.0,0.0,5.778002929677897,0.0,5.778002929677897
cGLH,OE2,-0.5716457751098476,5.406548396888065,0.0,0.0,5.406548396888065,0.0,5.406548396888065
cGLH,HE,0.4193055093078469,1.496587015234067,0.0,0.0,1.496587015234067,0.0,1.496587015234067
cGLH,HE2,0.4193055093078469,1.496587015234067,0.0,0.0,1.496587015234067,0.0,1.496587015234067
cGLH,O2,-0.5815185132099762,5.359375269078912,0.0,0.0,5.359375269078912,0.0,5.359375269078912
cGLH,O'',-0.5815185132099762,5.359375269078912,0.0,0.0,5.359375269078912,0.0,5.359375269078912
cGLH,OXT,-0.5815185132099762,5.359375269078912,0.0,0.0,5.359375269078912,0.0,5.359375269078912
cGLH,OT2,-0.5815185132099762,5.359375269078912,0.0,0.0,5.359375269078912,0.0,5.359375269078912
cGLH,HO,0.4249546479909659,1.472135291656132,0.0,0.0,1.472135291656132,0.0,1.472135291656132
cGLH,H'',0.4249546479909659,1.472135291656132,0.0,0.0,1.472135291656132,0.0,1.472135291656132
cGLH,HXT,0.4249546479909659,1.472135291656132,0.0,0.0,1.472135291656132,0.0,1.472135291656132
cLYD,N,-0.3704426051851905,7.456072101169727,0.0,0.0,7.456072101169727,0.0,7.456072101169727
cLYN,N,-0.3704426051851905,7.456072101169727,0.0,0.0,7.456072101169727,0.0,7.456072101169727
cLYD,HN,0.26084163117789955,1.2335890427301088,0.0,0.0,1.2335890427301088,0.0,1.2335890427301088
cLYN,HN,0.26084163117789955,1.2335890427301088,0.0,0.0,1.2335890427301088,0.0,1.2335890427301088
cLYD,H,0.26084163117789955,1.2335890427301088,0.0,0.0,1.2335890427301088,0.0,1.2335890427301088
cLYN,H,0.26084163117789955,1.2335890427301088,0.0,0.0,1.2335890427301088,0.0,1.2335890427301088
cLYD,CA,-0.053559935611920954,8.155984242154256,0.0,0.0,8.155984242154256,0.0,8.155984242154256
cLYN,CA,-0.053559935611920954,8.155984242154256,0.0,0.0,8.155984242154256,0.0,8.155984242154256
cLYD,HA,0.16226567593825272,1.6129340530873038,0.0,0.0,1.6129340530873038,0.0,1.6129340530873038
cLYN,HA,0.16226567593825272,1.6129340530873038,0.0,0.0,1.6129340530873038,0.0,1.6129340530873038
cLYD,CB,-0.26787905928120426,7.863139125190226,0.0,0.0,7.863139125190226,0.0,7.863139125190226
cLYN,CB,-0.26787905928120426,7.863139125190226,0.0,0.0,7.863139125190226,0.0,7.863139125190226
cLYD,C,0.5029540551430389,7.442922912663674,0.0,0.0,7.442922912663674,0.0,7.442922912663674
cLYN,C,0.5029540551430389,7.442922912663674,0.0,0.0,7.442922912663674,0.0,7.442922912663674
cLYD,HB,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYN,HB,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYD,HB1,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYN,HB1,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYD,1HB,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYN,1HB,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYD,HB2,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYN,HB2,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYD,2HB,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYN,2HB,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYD,HB3,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYN,HB3,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYD,3HB,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYN,3HB,0.14437860714622772,1.433507781593394,0.0,0.0,1.433507781593394,0.0,1.433507781593394
cLYD,CG,-0.26151794623119556,7.759172482858386,0.0,0.0,7.759172482858386,0.0,7.759172482858386
cLYN,CG,-0.26151794623119556,7.759172482858386,0.0,0.0,7.759172482858386,0.0,7.759172482858386
cLYD,O1,-0.45612525734851,5.60011267627226,0.0,0.0,5.60011267627226,0.0,5.60011267627226
cLYN,O1,-0.45612525734851,5.60011267627226,0.0,0.0,5.60011267627226,0.0,5.60011267627226
cLYD,O,-0.45612525734851,5.60011267627226,0.0,0.0,5.60011267627226,0.0,5.60011267627226
cLYN,O,-0.45612525734851,5.60011267627226,0.0,0.0,5.60011267627226,0.0,5.60011267627226
cLYD,OT1,-0.45612525734851,5.60011267627226,0.0,0.0,5.60011267627226,0.0,5.60011267627226
cLYN,OT1,-0.45612525734851,5.60011267627226,0.0,0.0,5.60011267627226,0.0,5.60011267627226
cLYD,HG,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYN,HG,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYD,1HG,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYN,1HG,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYD,HG1,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYN,HG1,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYD,HG2,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYN,HG2,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYD,2HG,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYN,2HG,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYD,HG3,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYN,HG3,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYD,3HG,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYN,3HG,0.14381755691900314,1.4528975353029825,0.0,0.0,1.4528975353029825,0.0,1.4528975353029825
cLYD,CD,-0.2661625745550672,7.838627874904991,0.0,0.0,7.838627874904991,0.0,7.838627874904991
cLYN,CD,-0.2661625745550672,7.838627874904991,0.0,0.0,7.838627874904991,0.0,7.838627874904991
cLYD,HD,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYN,HD,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYD,1HD,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYN,1HD,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYD,HD1,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYN,HD1,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYD,HD2,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYN,HD2,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYD,2HD,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYN,2HD,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYD,HD3,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYN,HD3,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYD,3HD,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYN,3HD,0.13951231979955003,1.5788366061950336,0.0,0.0,1.5788366061950336,0.0,1.5788366061950336
cLYD,CE,-0.1551437965092812,7.795399000093187,0.0,0.0,7.795399000093187,0.0,7.795399000093187
cLYN,CE,-0.1551437965092812,7.795399000093187,0.0,0.0,7.795399000093187,0.0,7.795399000093187
cLYD,HE,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYN,HE,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYD,HE2,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYN,HE2,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYD,1HE,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYN,1HE,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYD,HE1,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYN,HE1,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYD,HE3,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYN,HE3,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYD,2HE,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYN,2HE,0.1194118536178426,1.6922251836719004,0.0,0.0,1.6922251836719004,0.0,1.6922251836719004
cLYD,NZ,-0.6201278719066287,7.814185461057619,0.0,0.0,7.814185461057619,0.0,7.814185461057619
cLYN,NZ,-0.6201278719066287,7.814185461057619,0.0,0.0,7.814185461057619,0.0,7.814185461057619
cLYD,HZ,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,HZ,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,HZ1,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,HZ1,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,1HZ,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,1HZ,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,HNZ1,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,HNZ1,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,HZ2,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,HZ2,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,2HZ,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,2HZ,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,HNZ2,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,HNZ2,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,HZ3,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,HZ3,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,3HZ,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,3HZ,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,HNZ3,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYN,HNZ3,0.2650601323462139,1.4176710699689152,0.0,0.0,1.4176710699689152,0.0,1.4176710699689152
cLYD,O2,-0.5002787237416579,5.408461275790954,0.0,0.0,5.408461275790954,0.0,5.408461275790954
cLYN,O2,-0.5002787237416579,5.408461275790954,0.0,0.0,5.408461275790954,0.0,5.408461275790954
cLYD,O'',-0.5002787237416579,5.408461275790954,0.0,0.0,5.408461275790954,0.0,5.408461275790954
cLYN,O'',-0.5002787237416579,5.408461275790954,0.0,0.0,5.408461275790954,0.0,5.408461275790954
cLYD,OXT,-0.5002787237416579,5.408461275790954,0.0,0.0,5.408461275790954,0.0,5.408461275790954
cLYN,OXT,-0.5002787237416579,5.408461275790954,0.0,0.0,5.408461275790954,0.0,5.408461275790954
cLYD,OT2,-0.5002787237416579,5.408461275790954,0.0,0.0,5.408461275790954,0.0,5.408461275790954
cLYN,OT2,-0.5002787237416579,5.408461275790954,0.0,0.0,5.408461275790954,0.0,5.408461275790954
cLYD,HO,0.40081546845379035,1.4949033679528678,0.0,0.0,1.4949033679528678,0.0,1.4949033679528678
cLYN,HO,0.40081546845379035,1.4949033679528678,0.0,0.0,1.4949033679528678,0.0,1.4949033679528678
cLYD,H'',0.40081546845379035,1.4949033679528678,0.0,0.0,1.4949033679528678,0.0,1.4949033679528678
cLYN,H'',0.40081546845379035,1.4949033679528678,0.0,0.0,1.4949033679528678,0.0,1.4949033679528678
cLYD,HXT,0.40081546845379035,1.4949033679528678,0.0,0.0,1.4949033679528678,0.0,1.4949033679528678
cLYN,HXT,0.40081546845379035,1.4949033679528678,0.0,0.0,1.4949033679528678,0.0,1.4949033679528678
CALA,N,-0.6900585702784493,8.235016366691426,0.0,0.0,8.235016366691426,0.0,8.235016366691426
CALA,HN,0.33053335781209764,1.365821821679649,0.0,0.0,1.365821821679649,0.0,1.365821821679649
CALA,H,0.33053335781209764,1.365821821679649,0.0,0.0,1.365821821679649,0.0,1.365821821679649
CALA,CA,0.2773950639794094,9.502264753832748,0.0,0.0,9.502264753832748,0.0,9.502264753832748
CALA,HA,-0.008953265783823348,1.9061155709979622,0.0,0.0,1.9061155709979622,0.0,1.9061155709979622
CALA,CB,-0.39921471363643907,8.664029639166959,0.0,0.0,8.664029639166959,0.0,8.664029639166959
CALA,C,0.8513094634605722,9.967321329493943,0.0,0.0,9.967321329493943,0.0,9.967321329493943
CALA,HB,0.07992981158735021,1.5093756767366966,0.0,0.0,1.5093756767366966,0.0,1.5093756767366966
CALA,HB1,0.07992981158735021,1.5093756767366966,0.0,0.0,1.5093756767366966,0.0,1.5093756767366966
CALA,1HB,0.07992981158735021,1.5093756767366966,0.0,0.0,1.5093756767366966,0.0,1.5093756767366966
CALA,HB2,0.07992981158735021,1.5093756767366966,0.0,0.0,1.5093756767366966,0.0,1.5093756767366966
CALA,2HB,0.07992981158735021,1.5093756767366966,0.0,0.0,1.5093756767366966,0.0,1.5093756767366966
CALA,HB3,0.07992981158735021,1.5093756767366966,0.0,0.0,1.5093756767366966,0.0,1.5093756767366966
CALA,3HB,0.07992981158735021,1.5093756767366966,0.0,0.0,1.5093756767366966,0.0,1.5093756767366966
CALA,O,-0.8004003851577091,7.003889686894272,0.0,0.0,7.003889686894272,0.0,7.003889686894272
CALA,OXT,-0.8004003851577091,7.003889686894272,0.0,0.0,7.003889686894272,0.0,7.003889686894272
CALA,OT1,-0.8004003851577091,7.003889686894272,0.0,0.0,7.003889686894272,0.0,7.003889686894272
CALA,OT2,-0.8004003851577091,7.003889686894272,0.0,0.0,7.003889686894272,0.0,7.003889686894272
CALA,OC1,-0.8004003851577091,7.003889686894272,0.0,0.0,7.003889686894272,0.0,7.003889686894272
CALA,OC2,-0.8004003851577091,7.003889686894272,0.0,0.0,7.003889686894272,0.0,7.003889686894272
CARG,N,-0.5669606008077557,8.08535665672066,0.0,0.0,8.08535665672066,0.0,8.08535665672066
CARG,HN,0.2947668753361422,1.2476938266291242,0.0,0.0,1.2476938266291242,0.0,1.2476938266291242
CARG,H,0.2947668753361422,1.2476938266291242,0.0,0.0,1.2476938266291242,0.0,1.2476938266291242
CARG,CA,0.04929442902032838,10.398497425111763,0.0,0.0,10.398497425111763,0.0,10.398497425111763
CARG,HA,0.038622144991736065,1.6709338187081215,0.0,0.0,1.6709338187081215,0.0,1.6709338187081215
CARG,CB,-0.1477288137572663,8.982159407511206,0.0,0.0,8.982159407511206,0.0,8.982159407511206
CARG,C,0.9175085519028423,10.05184189754465,0.0,0.0,10.05184189754465,0.0,10.05184189754465
CARG,HB,0.04027213134984241,1.1107311518879839,0.0,0.0,1.1107311518879839,0.0,1.1107311518879839
CARG,HB1,0.04027213134984241,1.1107311518879839,0.0,0.0,1.1107311518879839,0.0,1.1107311518879839
CARG,1HB,0.04027213134984241,1.1107311518879839,0.0,0.0,1.1107311518879839,0.0,1.1107311518879839
CARG,HB2,0.04027213134984241,1.1107311518879839,0.0,0.0,1.1107311518879839,0.0,1.1107311518879839
CARG,2HB,0.04027213134984241,1.1107311518879839,0.0,0.0,1.1107311518879839,0.0,1.1107311518879839
CARG,HB3,0.04027213134984241,1.1107311518879839,0.0,0.0,1.1107311518879839,0.0,1.1107311518879839
CARG,3HB,0.04027213134984241,1.1107311518879839,0.0,0.0,1.1107311518879839,0.0,1.1107311518879839
CARG,CG,0.06767242012583857,8.64341041213127,0.0,0.0,8.64341041213127,0.0,8.64341041213127
CARG,CG,0.06767242012583857,8.64341041213127,0.0,0.0,8.64341041213127,0.0,8.64341041213127
CARG,O,-0.7787579771116497,6.761030890358876,0.0,0.0,6.761030890358876,0.0,6.761030890358876
CARG,OXT,-0.7787579771116497,6.761030890358876,0.0,0.0,6.761030890358876,0.0,6.761030890358876
CARG,OT1,-0.7787579771116497,6.761030890358876,0.0,0.0,6.761030890358876,0.0,6.761030890358876
CARG,OT2,-0.7787579771116497,6.761030890358876,0.0,0.0,6.761030890358876,0.0,6.761030890358876
CARG,OC1,-0.7787579771116497,6.761030890358876,0.0,0.0,6.761030890358876,0.0,6.761030890358876
CARG,OC2,-0.7787579771116497,6.761030890358876,0.0,0.0,6.761030890358876,0.0,6.761030890358876
CARG,HG,0.018923558829645994,1.0952294082412193,0.0,0.0,1.0952294082412193,0.0,1.0952294082412193
CARG,1HG,0.018923558829645994,1.0952294082412193,0.0,0.0,1.0952294082412193,0.0,1.0952294082412193
CARG,HG1,0.018923558829645994,1.0952294082412193,0.0,0.0,1.0952294082412193,0.0,1.0952294082412193
CARG,HG2,0.018923558829645994,1.0952294082412193,0.0,0.0,1.0952294082412193,0.0,1.0952294082412193
CARG,2HG,0.018923558829645994,1.0952294082412193,0.0,0.0,1.0952294082412193,0.0,1.0952294082412193
CARG,HG3,0.018923558829645994,1.0952294082412193,0.0,0.0,1.0952294082412193,0.0,1.0952294082412193
CARG,3HG,0.018923558829645994,1.0952294082412193,0.0,0.0,1.0952294082412193,0.0,1.0952294082412193
CARG,CD,-0.034044675598624535,7.941428830038632,0.0,0.0,7.941428830038632,0.0,7.941428830038632
CARG,HD,0.0949833020017846,1.1072835716956617,0.0,0.0,1.1072835716956617,0.0,1.1072835716956617
CARG,1HD,0.0949833020017846,1.1072835716956617,0.0,0.0,1.1072835716956617,0.0,1.1072835716956617
CARG,HD1,0.0949833020017846,1.1072835716956617,0.0,0.0,1.1072835716956617,0.0,1.1072835716956617
CARG,HD2,0.0949833020017846,1.1072835716956617,0.0,0.0,1.1072835716956617,0.0,1.1072835716956617
CARG,2HD,0.0949833020017846,1.1072835716956617,0.0,0.0,1.1072835716956617,0.0,1.1072835716956617
CARG,HD3,0.0949833020017846,1.1072835716956617,0.0,0.0,1.1072835716956617,0.0,1.1072835716956617
CARG,3HD,0.0949833020017846,1.1072835716956617,0.0,0.0,1.1072835716956617,0.0,1.1072835716956617
CARG,NE,-0.41579141832256616,7.714216569876189,0.0,0.0,7.714216569876189,0.0,7.714216569876189
CARG,HE,0.3461673975871911,1.0048380281541287,0.0,0.0,1.0048380281541287,0.0,1.0048380281541287
CARG,HE,0.3461673975871911,1.0048380281541287,0.0,0.0,1.0048380281541287,0.0,1.0048380281541287
CARG,CZ,0.527626203009453,8.436404733136351,0.0,0.0,8.436404733136351,0.0,8.436404733136351
CARG,NH,-0.7165430577714381,6.286231335075268,0.0,0.0,6.286231335075268,0.0,6.286231335075268
CARG,NH1,-0.7165430577714381,6.286231335075268,0.0,0.0,6.286231335075268,0.0,6.286231335075268
CARG,NH2,-0.7165430577714381,6.286231335075268,0.0,0.0,6.286231335075268,0.0,6.286231335075268
CARG,HH,0.4012778929790777,0.3923451144542096,0.0,0.0,0.3923451144542096,0.0,0.3923451144542096
CARG,HH11,0.4012778929790777,0.3923451144542096,0.0,0.0,0.3923451144542096,0.0,0.3923451144542096
CARG,1HH1,0.4012778929790777,0.3923451144542096,0.0,0.0,0.3923451144542096,0.0,0.3923451144542096
CARG,HH12,0.4012778929790777,0.3923451144542096,0.0,0.0,0.3923451144542096,0.0,0.3923451144542096
CARG,2HH1,0.4012778929790777,0.3923451144542096,0.0,0.0,0.3923451144542096,0.0,0.3923451144542096
CARG,HH21,0.4012778929790777,0.3923451144542096,0.0,0.0,0.3923451144542096,0.0,0.3923451144542096
CARG,1HH2,0.4012778929790777,0.3923451144542096,0.0,0.0,0.3923451144542096,0.0,0.3923451144542096
CARG,HH22,0.4012778929790777,0.3923451144542096,0.0,0.0,0.3923451144542096,0.0,0.3923451144542096
CARG,2HH2,0.4012778929790777,0.3923451144542096,0.0,0.0,0.3923451144542096,0.0,0.3923451144542096
CASN,N,-0.6502058772647279,8.017366585203494,0.0,0.0,8.017366585203494,0.0,8.017366585203494
CASN,HN,0.3165477155141575,1.2484730692829964,0.0,0.0,1.2484730692829964,0.0,1.2484730692829964
CASN,H,0.3165477155141575,1.2484730692829964,0.0,0.0,1.2484730692829964,0.0,1.2484730692829964
CASN,CA,0.223931494455551,9.566077270553185,0.0,0.0,9.566077270553185,0.0,9.566077270553185
CASN,HA,0.008977209332205225,1.5170251733440017,0.0,0.0,1.5170251733440017,0.0,1.5170251733440017
CASN,CB,-0.38608223355178695,8.593558186538772,0.0,0.0,8.593558186538772,0.0,8.593558186538772
CASN,C,0.8479124232287767,10.019692030426437,0.0,0.0,10.019692030426437,0.0,10.019692030426437
CASN,HB,0.0893596799110143,1.3662409170750052,0.0,0.0,1.3662409170750052,0.0,1.3662409170750052
CASN,HB1,0.0893596799110143,1.3662409170750052,0.0,0.0,1.3662409170750052,0.0,1.3662409170750052
CASN,1HB,0.0893596799110143,1.3662409170750052,0.0,0.0,1.3662409170750052,0.0,1.3662409170750052
CASN,HB2,0.0893596799110143,1.3662409170750052,0.0,0.0,1.3662409170750052,0.0,1.3662409170750052
CASN,2HB,0.0893596799110143,1.3662409170750052,0.0,0.0,1.3662409170750052,0.0,1.3662409170750052
CASN,HB3,0.0893596799110143,1.3662409170750052,0.0,0.0,1.3662409170750052,0.0,1.3662409170750052
CASN,3HB,0.0893596799110143,1.3662409170750052,0.0,0.0,1.3662409170750052,0.0,1.3662409170750052
CASN,CG,0.8037785454055308,8.394038023469625,0.0,0.0,8.394038023469625,0.0,8.394038023469625
CASN,O,-0.781811189104672,6.859414212595459,0.0,0.0,6.859414212595459,0.0,6.859414212595459
CASN,OXT,-0.781811189104672,6.859414212595459,0.0,0.0,6.859414212595459,0.0,6.859414212595459
CASN,OT1,-0.781811189104672,6.859414212595459,0.0,0.0,6.859414212595459,0.0,6.859414212595459
CASN,OT2,-0.781811189104672,6.859414212595459,0.0,0.0,6.859414212595459,0.0,6.859414212595459
CASN,OC1,-0.781811189104672,6.859414212595459,0.0,0.0,6.859414212595459,0.0,6.859414212595459
CASN,OC2,-0.781811189104672,6.859414212595459,0.0,0.0,6.859414212595459,0.0,6.859414212595459
CASN,OD,-0.5651058730717905,5.692560239017521,0.0,0.0,5.692560239017521,0.0,5.692560239017521
CASN,OD1,-0.5651058730717905,5.692560239017521,0.0,0.0,5.692560239017521,0.0,5.692560239017521
CASN,ND,-1.0026051270431886,8.03101457071091,0.0,0.0,8.03101457071091,0.0,8.03101457071091
CASN,ND2,-1.0026051270431886,8.03101457071091,0.0,0.0,8.03101457071091,0.0,8.03101457071091
CASN,HD,0.39387737069129414,1.2972628790849925,0.0,0.0,1.2972628790849925,0.0,1.2972628790849925
CASN,HD21,0.39387737069129414,1.2972628790849925,0.0,0.0,1.2972628790849925,0.0,1.2972628790849925
CASN,1HD2,0.39387737069129414,1.2972628790849925,0.0,0.0,1.2972628790849925,0.0,1.2972628790849925
CASN,HN21,0.39387737069129414,1.2972628790849925,0.0,0.0,1.2972628790849925,0.0,1.2972628790849925
CASN,HD22,0.39387737069129414,1.2972628790849925,0.0,0.0,1.2972628790849925,0.0,1.2972628790849925
CASN,2HD2,0.39387737069129414,1.2972628790849925,0.0,0.0,1.2972628790849925,0.0,1.2972628790849925
CASN,HN22,0.39387737069129414,1.2972628790849925,0.0,0.0,1.2972628790849925,0.0,1.2972628790849925
CASP,N,-0.8989104551283921,8.205086294835896,0.0,0.0,8.205086294835896,0.0,8.205086294835896
CASP,HN,0.3781277164963022,1.171693239545885,0.0,0.0,1.171693239545885,0.0,1.171693239545885
CASP,H,0.3781277164963022,1.171693239545885,0.0,0.0,1.171693239545885,0.0,1.171693239545885
CASP,CA,0.48250126135526433,9.957198053299063,0.0,0.0,9.957198053299063,0.0,9.957198053299063
CASP,HA,-0.07159484325455291,1.5081705361174682,0.0,0.0,1.5081705361174682,0.0,1.5081705361174682
CASP,CB,-0.10209642001971067,10.025065794022668,0.0,0.0,10.025065794022668,0.0,10.025065794022668
CASP,C,0.8744473706174197,10.949566824548203,0.0,0.0,10.949566824548203,0.0,10.949566824548203
CASP,HB,-0.07110896319903934,1.3877704317039847,0.0,0.0,1.3877704317039847,0.0,1.3877704317039847
CASP,HB1,-0.07110896319903934,1.3877704317039847,0.0,0.0,1.3877704317039847,0.0,1.3877704317039847
CASP,1HB,-0.07110896319903934,1.3877704317039847,0.0,0.0,1.3877704317039847,0.0,1.3877704317039847
CASP,HB2,-0.07110896319903934,1.3877704317039847,0.0,0.0,1.3877704317039847,0.0,1.3877704317039847
CASP,2HB,-0.07110896319903934,1.3877704317039847,0.0,0.0,1.3877704317039847,0.0,1.3877704317039847
CASP,HB3,-0.07110896319903934,1.3877704317039847,0.0,0.0,1.3877704317039847,0.0,1.3877704317039847
CASP,3HB,-0.07110896319903934,1.3877704317039847,0.0,0.0,1.3877704317039847,0.0,1.3877704317039847
CASP,CG,0.8916577189114133,11.013221794383417,0.0,0.0,11.013221794383417,0.0,11.013221794383417
CASP,O,-0.8542366566666382,7.199262156907412,0.0,0.0,7.199262156907412,0.0,7.199262156907412
CASP,OXT,-0.8542366566666382,7.199262156907412,0.0,0.0,7.199262156907412,0.0,7.199262156907412
CASP,OT1,-0.8542366566666382,7.199262156907412,0.0,0.0,7.199262156907412,0.0,7.199262156907412
CASP,OT2,-0.8542366566666382,7.199262156907412,0.0,0.0,7.199262156907412,0.0,7.199262156907412
CASP,OC1,-0.8542366566666382,7.199262156907412,0.0,0.0,7.199262156907412,0.0,7.199262156907412
CASP,OC2,-0.8542366566666382,7.199262156907412,0.0,0.0,7.199262156907412,0.0,7.199262156907412
CASP,OD,-0.8517205546231945,7.291422758816291,0.0,0.0,7.291422758816291,0.0,7.291422758816291
CASP,OD1,-0.8517205546231945,7.291422758816291,0.0,0.0,7.291422758816291,0.0,7.291422758816291
CASP,OD2,-0.8517205546231945,7.291422758816291,0.0,0.0,7.291422758816291,0.0,7.291422758816291
CCYS,N,-0.6030329023962852,7.943328130638343,0.0,0.0,7.943328130638343,0.0,7.943328130638343
CCYS,HN,0.31433814555876677,1.0654700712625256,0.0,0.0,1.0654700712625256,0.0,1.0654700712625256
CCYS,H,0.31433814555876677,1.0654700712625256,0.0,0.0,1.0654700712625256,0.0,1.0654700712625256
CCYS,CA,0.09791268270170611,10.410915164364097,0.0,0.0,10.410915164364097,0.0,10.410915164364097
CCYS,HA,0.06452960615129637,1.4903417658600997,0.0,0.0,1.4903417658600997,0.0,1.4903417658600997
CCYS,CB,-0.1747261745660332,9.960576197468356,0.0,0.0,9.960576197468356,0.0,9.960576197468356
CCYS,C,0.8644641561663381,10.069854555543683,0.0,0.0,10.069854555543683,0.0,10.069854555543683
CCYS,HB,0.08740167209101682,1.067729002711321,0.0,0.0,1.067729002711321,0.0,1.067729002711321
CCYS,HB1,0.08740167209101682,1.067729002711321,0.0,0.0,1.067729002711321,0.0,1.067729002711321
CCYS,1HB,0.08740167209101682,1.067729002711321,0.0,0.0,1.067729002711321,0.0,1.067729002711321
CCYS,HB2,0.08740167209101682,1.067729002711321,0.0,0.0,1.067729002711321,0.0,1.067729002711321
CCYS,2HB,0.08740167209101682,1.067729002711321,0.0,0.0,1.067729002711321,0.0,1.067729002711321
CCYS,HB3,0.08740167209101682,1.067729002711321,0.0,0.0,1.067729002711321,0.0,1.067729002711321
CCYS,3HB,0.08740167209101682,1.067729002711321,0.0,0.0,1.067729002711321,0.0,1.067729002711321
CCYS,SG,-0.3206795261762773,20.117658044460168,0.0,0.0,20.117658044460168,0.0,20.117658044460168
CCYS,S,-0.3206795261762773,20.117658044460168,0.0,0.0,20.117658044460168,0.0,20.117658044460168
CCYS,O,-0.773599140176416,6.645316515646139,0.0,0.0,6.645316515646139,0.0,6.645316515646139
CCYS,OXT,-0.773599140176416,6.645316515646139,0.0,0.0,6.645316515646139,0.0,6.645316515646139
CCYS,OT1,-0.773599140176416,6.645316515646139,0.0,0.0,6.645316515646139,0.0,6.645316515646139
CCYS,OT2,-0.773599140176416,6.645316515646139,0.0,0.0,6.645316515646139,0.0,6.645316515646139
CCYS,OC1,-0.773599140176416,6.645316515646139,0.0,0.0,6.645316515646139,0.0,6.645316515646139
CCYS,OC2,-0.773599140176416,6.645316515646139,0.0,0.0,6.645316515646139,0.0,6.645316515646139
CCYS,HG,0.12958894873128668,3.002607659237037,0.0,0.0,3.002607659237037,0.0,3.002607659237037
CCYS,HG1,0.12958894873128668,3.002607659237037,0.0,0.0,3.002607659237037,0.0,3.002607659237037
CGLN,N,-0.6564137283884659,8.096886852380186,0.0,0.0,8.096886852380186,0.0,8.096886852380186
CGLN,HN,0.32806510864630506,1.2136717408453568,0.0,0.0,1.2136717408453568,0.0,1.2136717408453568
CGLN,H,0.32806510864630506,1.2136717408453568,0.0,0.0,1.2136717408453568,0.0,1.2136717408453568
CGLN,CA,0.07249827778752974,9.932107717037235,0.0,0.0,9.932107717037235,0.0,9.932107717037235
CGLN,HA,0.05246972736177466,1.7245796842645231,0.0,0.0,1.7245796842645231,0.0,1.7245796842645231
CGLN,CB,-0.16246254507529348,8.22098722733391,0.0,0.0,8.22098722733391,0.0,8.22098722733391
CGLN,C,0.9961777290900228,10.022923758412329,0.0,0.0,10.022923758412329,0.0,10.022923758412329
CGLN,HB,0.06376426231549785,1.2017774063219244,0.0,0.0,1.2017774063219244,0.0,1.2017774063219244
CGLN,HB1,0.06376426231549785,1.2017774063219244,0.0,0.0,1.2017774063219244,0.0,1.2017774063219244
CGLN,1HB,0.06376426231549785,1.2017774063219244,0.0,0.0,1.2017774063219244,0.0,1.2017774063219244
CGLN,HB2,0.06376426231549785,1.2017774063219244,0.0,0.0,1.2017774063219244,0.0,1.2017774063219244
CGLN,2HB,0.06376426231549785,1.2017774063219244,0.0,0.0,1.2017774063219244,0.0,1.2017774063219244
CGLN,HB3,0.06376426231549785,1.2017774063219244,0.0,0.0,1.2017774063219244,0.0,1.2017774063219244
CGLN,3HB,0.06376426231549785,1.2017774063219244,0.0,0.0,1.2017774063219244,0.0,1.2017774063219244
CGLN,CG,-0.20135467808147117,8.422134927213385,0.0,0.0,8.422134927213385,0.0,8.422134927213385
CGLN,O,-0.8328643508636419,6.850044886439326,0.0,0.0,6.850044886439326,0.0,6.850044886439326
CGLN,OXT,-0.8328643508636419,6.850044886439326,0.0,0.0,6.850044886439326,0.0,6.850044886439326
CGLN,OT1,-0.8328643508636419,6.850044886439326,0.0,0.0,6.850044886439326,0.0,6.850044886439326
CGLN,OT2,-0.8328643508636419,6.850044886439326,0.0,0.0,6.850044886439326,0.0,6.850044886439326
CGLN,OC1,-0.8328643508636419,6.850044886439326,0.0,0.0,6.850044886439326,0.0,6.850044886439326
CGLN,OC2,-0.8328643508636419,6.850044886439326,0.0,0.0,6.850044886439326,0.0,6.850044886439326
CGLN,HG,0.07162322597468354,1.3275872194207121,0.0,0.0,1.3275872194207121,0.0,1.3275872194207121
CGLN,1HG,0.07162322597468354,1.3275872194207121,0.0,0.0,1.3275872194207121,0.0,1.3275872194207121
CGLN,HG1,0.07162322597468354,1.3275872194207121,0.0,0.0,1.3275872194207121,0.0,1.3275872194207121
CGLN,HG2,0.07162322597468354,1.3275872194207121,0.0,0.0,1.3275872194207121,0.0,1.3275872194207121
CGLN,2HG,0.07162322597468354,1.3275872194207121,0.0,0.0,1.3275872194207121,0.0,1.3275872194207121
CGLN,HG3,0.07162322597468354,1.3275872194207121,0.0,0.0,1.3275872194207121,0.0,1.3275872194207121
CGLN,3HG,0.07162322597468354,1.3275872194207121,0.0,0.0,1.3275872194207121,0.0,1.3275872194207121
CGLN,CD,0.5951457418085386,8.397422585385176,0.0,0.0,8.397422585385176,0.0,8.397422585385176
CGLN,OE,-0.5212177974208644,5.770279584198228,0.0,0.0,5.770279584198228,0.0,5.770279584198228
CGLN,OE1,-0.5212177974208644,5.770279584198228,0.0,0.0,5.770279584198228,0.0,5.770279584198228
CGLN,NE,-0.776730089327228,7.963418699972417,0.0,0.0,7.963418699972417,0.0,7.963418699972417
CGLN,NE2,-0.776730089327228,7.963418699972417,0.0,0.0,7.963418699972417,0.0,7.963418699972417
CGLN,HE,0.3343879893730365,1.2908595211622984,0.0,0.0,1.2908595211622984,0.0,1.2908595211622984
CGLN,HE21,0.3343879893730365,1.2908595211622984,0.0,0.0,1.2908595211622984,0.0,1.2908595211622984
CGLN,1HE2,0.3343879893730365,1.2908595211622984,0.0,0.0,1.2908595211622984,0.0,1.2908595211622984
CGLN,HE22,0.3343879893730365,1.2908595211622984,0.0,0.0,1.2908595211622984,0.0,1.2908595211622984
CGLN,2HE2,0.3343879893730365,1.2908595211622984,0.0,0.0,1.2908595211622984,0.0,1.2908595211622984
CGLU,N,-0.8303116406090328,8.213942565132244,0.0,0.0,8.213942565132244,0.0,8.213942565132244
CGLU,HN,0.3609165712708796,1.1209626309817855,0.0,0.0,1.1209626309817855,0.0,1.1209626309817855
CGLU,H,0.3609165712708796,1.1209626309817855,0.0,0.0,1.1209626309817855,0.0,1.1209626309817855
CGLU,CA,0.2995549878160058,10.023137924852533,0.0,0.0,10.023137924852533,0.0,10.023137924852533
CGLU,HA,-0.03750575754456614,1.6923648259188537,0.0,0.0,1.6923648259188537,0.0,1.6923648259188537
CGLU,CB,0.13426506293028795,8.37294516987843,0.0,0.0,8.37294516987843,0.0,8.37294516987843
CGLU,C,0.9057874864364088,10.564239991032546,0.0,0.0,10.564239991032546,0.0,10.564239991032546
CGLU,HB,-0.08170072285235642,1.0722883613995182,0.0,0.0,1.0722883613995182,0.0,1.0722883613995182
CGLU,HB1,-0.08170072285235642,1.0722883613995182,0.0,0.0,1.0722883613995182,0.0,1.0722883613995182
CGLU,1HB,-0.08170072285235642,1.0722883613995182,0.0,0.0,1.0722883613995182,0.0,1.0722883613995182
CGLU,HB2,-0.08170072285235642,1.0722883613995182,0.0,0.0,1.0722883613995182,0.0,1.0722883613995182
CGLU,2HB,-0.08170072285235642,1.0722883613995182,0.0,0.0,1.0722883613995182,0.0,1.0722883613995182
CGLU,HB3,-0.08170072285235642,1.0722883613995182,0.0,0.0,1.0722883613995182,0.0,1.0722883613995182
CGLU,3HB,-0.08170072285235642,1.0722883613995182,0.0,0.0,1.0722883613995182,0.0,1.0722883613995182
CGLU,CG,0.05702582776517935,9.920978165684504,0.0,0.0,9.920978165684504,0.0,9.920978165684504
CGLU,O,-0.8513405997954546,7.041718334416031,0.0,0.0,7.041718334416031,0.0,7.041718334416031
CGLU,OXT,-0.8513405997954546,7.041718334416031,0.0,0.0,7.041718334416031,0.0,7.041718334416031
CGLU,OT1,-0.8513405997954546,7.041718334416031,0.0,0.0,7.041718334416031,0.0,7.041718334416031
CGLU,OT2,-0.8513405997954546,7.041718334416031,0.0,0.0,7.041718334416031,0.0,7.041718334416031
CGLU,OC1,-0.8513405997954546,7.041718334416031,0.0,0.0,7.041718334416031,0.0,7.041718334416031
CGLU,OC2,-0.8513405997954546,7.041718334416031,0.0,0.0,7.041718334416031,0.0,7.041718334416031
CGLU,HG,-0.09119654368714694,1.3670520924338143,0.0,0.0,1.3670520924338143,0.0,1.3670520924338143
CGLU,1HG,-0.09119654368714694,1.3670520924338143,0.0,0.0,1.3670520924338143,0.0,1.3670520924338143
CGLU,HG1,-0.09119654368714694,1.3670520924338143,0.0,0.0,1.3670520924338143,0.0,1.3670520924338143
CGLU,HG2,-0.09119654368714694,1.3670520924338143,0.0,0.0,1.3670520924338143,0.0,1.3670520924338143
CGLU,2HG,-0.09119654368714694,1.3670520924338143,0.0,0.0,1.3670520924338143,0.0,1.3670520924338143
CGLU,HG3,-0.09119654368714694,1.3670520924338143,0.0,0.0,1.3670520924338143,0.0,1.3670520924338143
CGLU,3HG,-0.09119654368714694,1.3670520924338143,0.0,0.0,1.3670520924338143,0.0,1.3670520924338143
CGLU,CD,0.8661543608755086,10.953769365597186,0.0,0.0,10.953769365597186,0.0,10.953769365597186
CGLU,OE,-0.8537055831353777,7.331074299999697,0.0,0.0,7.331074299999697,0.0,7.331074299999697
CGLU,OE1,-0.8537055831353777,7.331074299999697,0.0,0.0,7.331074299999697,0.0,7.331074299999697
CGLU,OE2,-0.8537055831353777,7.331074299999697,0.0,0.0,7.331074299999697,0.0,7.331074299999697
CGLY,N,-0.5582407865683051,8.048730338901304,0.0,0.0,8.048730338901304,0.0,8.048730338901304
CGLY,HN,0.30876659928597106,1.3306161643184287,0.0,0.0,1.3306161643184287,0.0,1.3306161643184287
CGLY,H,0.30876659928597106,1.3306161643184287,0.0,0.0,1.3306161643184287,0.0,1.3306161643184287
CGLY,CA,-0.17405558546193073,10.150130398177838,0.0,0.0,10.150130398177838,0.0,10.150130398177838
CGLY,C,0.8943606994852727,10.173499377701821,0.0,0.0,10.173499377701821,0.0,10.173499377701821
CGLY,HA,0.05956425795925507,1.6371112819481852,0.0,0.0,1.6371112819481852,0.0,1.6371112819481852
CGLY,HA2,0.05956425795925507,1.6371112819481852,0.0,0.0,1.6371112819481852,0.0,1.6371112819481852
CGLY,1HA,0.05956425795925507,1.6371112819481852,0.0,0.0,1.6371112819481852,0.0,1.6371112819481852
CGLY,HA1,0.05956425795925507,1.6371112819481852,0.0,0.0,1.6371112819481852,0.0,1.6371112819481852
CGLY,HA3,0.05956425795925507,1.6371112819481852,0.0,0.0,1.6371112819481852,0.0,1.6371112819481852
CGLY,2HA,0.05956425795925507,1.6371112819481852,0.0,0.0,1.6371112819481852,0.0,1.6371112819481852
CGLY,O,-0.794979721329759,6.971390496829425,0.0,0.0,6.971390496829425,0.0,6.971390496829425
CGLY,OXT,-0.794979721329759,6.971390496829425,0.0,0.0,6.971390496829425,0.0,6.971390496829425
CGLY,OT1,-0.794979721329759,6.971390496829425,0.0,0.0,6.971390496829425,0.0,6.971390496829425
CGLY,OT2,-0.794979721329759,6.971390496829425,0.0,0.0,6.971390496829425,0.0,6.971390496829425
CGLY,OC1,-0.794979721329759,6.971390496829425,0.0,0.0,6.971390496829425,0.0,6.971390496829425
CGLY,OC2,-0.794979721329759,6.971390496829425,0.0,0.0,6.971390496829425,0.0,6.971390496829425
CHID,N,-0.6758114625794072,8.381006835693922,0.0,0.0,8.381006835693922,0.0,8.381006835693922
CHSD,N,-0.6758114625794072,8.381006835693922,0.0,0.0,8.381006835693922,0.0,8.381006835693922
CHID,HN,0.31751621200843544,1.2238348701865802,0.0,0.0,1.2238348701865802,0.0,1.2238348701865802
CHSD,HN,0.31751621200843544,1.2238348701865802,0.0,0.0,1.2238348701865802,0.0,1.2238348701865802
CHID,H,0.31751621200843544,1.2238348701865802,0.0,0.0,1.2238348701865802,0.0,1.2238348701865802
CHSD,H,0.31751621200843544,1.2238348701865802,0.0,0.0,1.2238348701865802,0.0,1.2238348701865802
CHID,CA,0.3302786571295787,9.574327729219801,0.0,0.0,9.574327729219801,0.0,9.574327729219801
CHSD,CA,0.3302786571295787,9.574327729219801,0.0,0.0,9.574327729219801,0.0,9.574327729219801
CHID,HA,-0.021045332143747774,1.588616735999338,0.0,0.0,1.588616735999338,0.0,1.588616735999338
CHSD,HA,-0.021045332143747774,1.588616735999338,0.0,0.0,1.588616735999338,0.0,1.588616735999338
CHID,CB,-0.33117575358406526,9.127447247089783,0.0,0.0,9.127447247089783,0.0,9.127447247089783
CHSD,CB,-0.33117575358406526,9.127447247089783,0.0,0.0,9.127447247089783,0.0,9.127447247089783
CHID,C,0.8179597358001257,9.355786145913504,0.0,0.0,9.355786145913504,0.0,9.355786145913504
CHSD,C,0.8179597358001257,9.355786145913504,0.0,0.0,9.355786145913504,0.0,9.355786145913504
CHID,HB,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHSD,HB,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHID,HB1,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHSD,HB1,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHID,1HB,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHSD,1HB,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHID,HB2,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHSD,HB2,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHID,2HB,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHSD,2HB,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHID,HB3,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHSD,HB3,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHID,3HB,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHSD,3HB,0.07352163954759731,1.2677162384574512,0.0,0.0,1.2677162384574512,0.0,1.2677162384574512
CHID,CG,0.13969659108549964,8.690273627382789,0.0,0.0,8.690273627382789,0.0,8.690273627382789
CHSD,CG,0.13969659108549964,8.690273627382789,0.0,0.0,8.690273627382789,0.0,8.690273627382789
CHID,O,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHSD,O,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHID,OXT,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHSD,OXT,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHID,OT1,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHSD,OT1,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHID,OT2,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHSD,OT2,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHID,OC1,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHSD,OC1,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHID,OC2,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHSD,OC2,-0.7735391207446338,6.463814726254716,0.0,0.0,6.463814726254716,0.0,6.463814726254716
CHID,ND,-0.34701251052933796,6.675382279636877,0.0,0.0,6.675382279636877,0.0,6.675382279636877
CHSD,ND,-0.34701251052933796,6.675382279636877,0.0,0.0,6.675382279636877,0.0,6.675382279636877
CHID,ND1,-0.34701251052933796,6.675382279636877,0.0,0.0,6.675382279636877,0.0,6.675382279636877
CHSD,ND1,-0.34701251052933796,6.675382279636877,0.0,0.0,6.675382279636877,0.0,6.675382279636877
CHID,CD,0.05966764724203974,8.761109149465888,0.0,0.0,8.761109149465888,0.0,8.761109149465888
CHSD,CD,0.05966764724203974,8.761109149465888,0.0,0.0,8.761109149465888,0.0,8.761109149465888
CHID,CD1,0.05966764724203974,8.761109149465888,0.0,0.0,8.761109149465888,0.0,8.761109149465888
CHSD,CD1,0.05966764724203974,8.761109149465888,0.0,0.0,8.761109149465888,0.0,8.761109149465888
CHID,CD2,0.05966764724203974,8.761109149465888,0.0,0.0,8.761109149465888,0.0,8.761109149465888
CHSD,CD2,0.05966764724203974,8.761109149465888,0.0,0.0,8.761109149465888,0.0,8.761109149465888
CHID,HD1,0.31770822611586286,1.2116039036903161,0.0,0.0,1.2116039036903161,0.0,1.2116039036903161
CHSD,HD1,0.31770822611586286,1.2116039036903161,0.0,0.0,1.2116039036903161,0.0,1.2116039036903161
CHID,CE,0.16438841208310243,8.859973132268289,0.0,0.0,8.859973132268289,0.0,8.859973132268289
CHSD,CE,0.16438841208310243,8.859973132268289,0.0,0.0,8.859973132268289,0.0,8.859973132268289
CHID,CE1,0.16438841208310243,8.859973132268289,0.0,0.0,8.859973132268289,0.0,8.859973132268289
CHSD,CE1,0.16438841208310243,8.859973132268289,0.0,0.0,8.859973132268289,0.0,8.859973132268289
CHID,CE2,0.16438841208310243,8.859973132268289,0.0,0.0,8.859973132268289,0.0,8.859973132268289
CHSD,CE2,0.16438841208310243,8.859973132268289,0.0,0.0,8.859973132268289,0.0,8.859973132268289
CHID,NE,-0.5750449412665614,7.876056687520847,0.0,0.0,7.876056687520847,0.0,7.876056687520847
CHSD,NE,-0.5750449412665614,7.876056687520847,0.0,0.0,7.876056687520847,0.0,7.876056687520847
CHID,NE2,-0.5750449412665614,7.876056687520847,0.0,0.0,7.876056687520847,0.0,7.876056687520847
CHSD,NE2,-0.5750449412665614,7.876056687520847,0.0,0.0,7.876056687520847,0.0,7.876056687520847
CHID,HD2,0.10743090214012395,1.7575341156823079,0.0,0.0,1.7575341156823079,0.0,1.7575341156823079
CHSD,HD2,0.10743090214012395,1.7575341156823079,0.0,0.0,1.7575341156823079,0.0,1.7575341156823079
CHID,HE,0.09547857889242439,2.0879847108889287,0.0,0.0,2.0879847108889287,0.0,2.0879847108889287
CHSD,HE,0.09547857889242439,2.0879847108889287,0.0,0.0,2.0879847108889287,0.0,2.0879847108889287
CHID,HE1,0.09547857889242439,2.0879847108889287,0.0,0.0,2.0879847108889287,0.0,2.0879847108889287
CHSD,HE1,0.09547857889242439,2.0879847108889287,0.0,0.0,2.0879847108889287,0.0,2.0879847108889287
CHID,HE2,0.09547857889242439,2.0879847108889287,0.0,0.0,2.0879847108889287,0.0,2.0879847108889287
CHSD,HE2,0.09547857889242439,2.0879847108889287,0.0,0.0,2.0879847108889287,0.0,2.0879847108889287
CHIE,N,-0.7072010057779511,8.411464460358468,0.0,0.0,8.411464460358468,0.0,8.411464460358468
CHSE,N,-0.7072010057779511,8.411464460358468,0.0,0.0,8.411464460358468,0.0,8.411464460358468
CHIE,HN,0.32542188668969174,1.211941057481378,0.0,0.0,1.211941057481378,0.0,1.211941057481378
CHSE,HN,0.32542188668969174,1.211941057481378,0.0,0.0,1.211941057481378,0.0,1.211941057481378
CHIE,H,0.32542188668969174,1.211941057481378,0.0,0.0,1.211941057481378,0.0,1.211941057481378
CHSE,H,0.32542188668969174,1.211941057481378,0.0,0.0,1.211941057481378,0.0,1.211941057481378
CHIE,CA,0.35475348822113345,9.659638895224347,0.0,0.0,9.659638895224347,0.0,9.659638895224347
CHSE,CA,0.35475348822113345,9.659638895224347,0.0,0.0,9.659638895224347,0.0,9.659638895224347
CHIE,HA,-0.03514371319257106,1.620870164345659,0.0,0.0,1.620870164345659,0.0,1.620870164345659
CHSE,HA,-0.03514371319257106,1.620870164345659,0.0,0.0,1.620870164345659,0.0,1.620870164345659
CHIE,CB,-0.2850295537125887,9.082823803644578,0.0,0.0,9.082823803644578,0.0,9.082823803644578
CHSE,CB,-0.2850295537125887,9.082823803644578,0.0,0.0,9.082823803644578,0.0,9.082823803644578
CHIE,C,0.8170608541167904,9.484025164671191,0.0,0.0,9.484025164671191,0.0,9.484025164671191
CHSE,C,0.8170608541167904,9.484025164671191,0.0,0.0,9.484025164671191,0.0,9.484025164671191
CHIE,HB,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHSE,HB,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHIE,HB1,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHSE,HB1,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHIE,1HB,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHSE,1HB,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHIE,HB2,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHSE,HB2,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHIE,2HB,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHSE,2HB,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHIE,HB3,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHSE,HB3,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHIE,3HB,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHSE,3HB,0.04633159466618818,1.2395010941855935,0.0,0.0,1.2395010941855935,0.0,1.2395010941855935
CHIE,CG,0.429758287269102,8.638222354093713,0.0,0.0,8.638222354093713,0.0,8.638222354093713
CHSE,CG,0.429758287269102,8.638222354093713,0.0,0.0,8.638222354093713,0.0,8.638222354093713
CHIE,O,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHSE,O,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHIE,OXT,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHSE,OXT,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHIE,OT1,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHSE,OT1,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHIE,OT2,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHSE,OT2,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHIE,OC1,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHSE,OC1,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHIE,OC2,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHSE,OC2,-0.7827064678553917,6.534116113564875,0.0,0.0,6.534116113564875,0.0,6.534116113564875
CHIE,ND,-0.471587999564729,7.4594059754384,0.0,0.0,7.4594059754384,0.0,7.4594059754384
CHSE,ND,-0.471587999564729,7.4594059754384,0.0,0.0,7.4594059754384,0.0,7.4594059754384
CHIE,ND1,-0.471587999564729,7.4594059754384,0.0,0.0,7.4594059754384,0.0,7.4594059754384
CHSE,ND1,-0.471587999564729,7.4594059754384,0.0,0.0,7.4594059754384,0.0,7.4594059754384
CHIE,CD,-0.3624295776906642,8.941655270569786,0.0,0.0,8.941655270569786,0.0,8.941655270569786
CHSE,CD,-0.3624295776906642,8.941655270569786,0.0,0.0,8.941655270569786,0.0,8.941655270569786
CHIE,CD1,-0.3624295776906642,8.941655270569786,0.0,0.0,8.941655270569786,0.0,8.941655270569786
CHSE,CD1,-0.3624295776906642,8.941655270569786,0.0,0.0,8.941655270569786,0.0,8.941655270569786
CHIE,CD2,-0.3624295776906642,8.941655270569786,0.0,0.0,8.941655270569786,0.0,8.941655270569786
CHSE,CD2,-0.3624295776906642,8.941655270569786,0.0,0.0,8.941655270569786,0.0,8.941655270569786
CHIE,CE,0.01311607521664947,8.719989895859484,0.0,0.0,8.719989895859484,0.0,8.719989895859484
CHSE,CE,0.01311607521664947,8.719989895859484,0.0,0.0,8.719989895859484,0.0,8.719989895859484
CHIE,CE1,0.01311607521664947,8.719989895859484,0.0,0.0,8.719989895859484,0.0,8.719989895859484
CHSE,CE1,0.01311607521664947,8.719989895859484,0.0,0.0,8.719989895859484,0.0,8.719989895859484
CHIE,CE2,0.01311607521664947,8.719989895859484,0.0,0.0,8.719989895859484,0.0,8.719989895859484
CHSE,CE2,0.01311607521664947,8.719989895859484,0.0,0.0,8.719989895859484,0.0,8.719989895859484
CHIE,NE,-0.2033372432472036,6.884680447558784,0.0,0.0,6.884680447558784,0.0,6.884680447558784
CHSE,NE,-0.2033372432472036,6.884680447558784,0.0,0.0,6.884680447558784,0.0,6.884680447558784
CHIE,NE2,-0.2033372432472036,6.884680447558784,0.0,0.0,6.884680447558784,0.0,6.884680447558784
CHSE,NE2,-0.2033372432472036,6.884680447558784,0.0,0.0,6.884680447558784,0.0,6.884680447558784
CHIE,HD,0.18146755051141,1.8103604786469187,0.0,0.0,1.8103604786469187,0.0,1.8103604786469187
CHSE,HD,0.18146755051141,1.8103604786469187,0.0,0.0,1.8103604786469187,0.0,1.8103604786469187
CHIE,HD1,0.18146755051141,1.8103604786469187,0.0,0.0,1.8103604786469187,0.0,1.8103604786469187
CHSE,HD1,0.18146755051141,1.8103604786469187,0.0,0.0,1.8103604786469187,0.0,1.8103604786469187
CHIE,HD2,0.18146755051141,1.8103604786469187,0.0,0.0,1.8103604786469187,0.0,1.8103604786469187
CHSE,HD2,0.18146755051141,1.8103604786469187,0.0,0.0,1.8103604786469187,0.0,1.8103604786469187
CHIE,HE1,0.1314717265738105,2.114456657327669,0.0,0.0,2.114456657327669,0.0,2.114456657327669
CHSE,HE1,0.1314717265738105,2.114456657327669,0.0,0.0,2.114456657327669,0.0,2.114456657327669
CHIE,HE2,0.2844289709655268,1.6584092566607964,0.0,0.0,1.6584092566607964,0.0,1.6584092566607964
CHSE,HE2,0.2844289709655268,1.6584092566607964,0.0,0.0,1.6584092566607964,0.0,1.6584092566607964
CHIE,HNE2,0.2844289709655268,1.6584092566607964,0.0,0.0,1.6584092566607964,0.0,1.6584092566607964
CHSE,HNE2,0.2844289709655268,1.6584092566607964,0.0,0.0,1.6584092566607964,0.0,1.6584092566607964
CHIS,N,-0.523699788421655,8.294797613041332,0.0,0.0,8.294797613041332,0.0,8.294797613041332
CHIP,N,-0.523699788421655,8.294797613041332,0.0,0.0,8.294797613041332,0.0,8.294797613041332
CHSP,N,-0.523699788421655,8.294797613041332,0.0,0.0,8.294797613041332,0.0,8.294797613041332
CHIS,HN,0.2818206059418035,1.3385764850878987,0.0,0.0,1.3385764850878987,0.0,1.3385764850878987
CHIP,HN,0.2818206059418035,1.3385764850878987,0.0,0.0,1.3385764850878987,0.0,1.3385764850878987
CHSP,HN,0.2818206059418035,1.3385764850878987,0.0,0.0,1.3385764850878987,0.0,1.3385764850878987
CHIS,H,0.2818206059418035,1.3385764850878987,0.0,0.0,1.3385764850878987,0.0,1.3385764850878987
CHIP,H,0.2818206059418035,1.3385764850878987,0.0,0.0,1.3385764850878987,0.0,1.3385764850878987
CHSP,H,0.2818206059418035,1.3385764850878987,0.0,0.0,1.3385764850878987,0.0,1.3385764850878987
CHIS,CA,0.15239371794045536,9.967374604542737,0.0,0.0,9.967374604542737,0.0,9.967374604542737
CHIP,CA,0.15239371794045536,9.967374604542737,0.0,0.0,9.967374604542737,0.0,9.967374604542737
CHSP,CA,0.15239371794045536,9.967374604542737,0.0,0.0,9.967374604542737,0.0,9.967374604542737
CHIS,HA,0.0427293547488853,1.7542095185798434,0.0,0.0,1.7542095185798434,0.0,1.7542095185798434
CHIP,HA,0.0427293547488853,1.7542095185798434,0.0,0.0,1.7542095185798434,0.0,1.7542095185798434
CHSP,HA,0.0427293547488853,1.7542095185798434,0.0,0.0,1.7542095185798434,0.0,1.7542095185798434
CHIS,CB,-0.4575236691968332,9.632054038558854,0.0,0.0,9.632054038558854,0.0,9.632054038558854
CHIP,CB,-0.4575236691968332,9.632054038558854,0.0,0.0,9.632054038558854,0.0,9.632054038558854
CHSP,CB,-0.4575236691968332,9.632054038558854,0.0,0.0,9.632054038558854,0.0,9.632054038558854
CHIS,C,0.8600953021200035,9.103404070044126,0.0,0.0,9.103404070044126,0.0,9.103404070044126
CHIP,C,0.8600953021200035,9.103404070044126,0.0,0.0,9.103404070044126,0.0,9.103404070044126
CHSP,C,0.8600953021200035,9.103404070044126,0.0,0.0,9.103404070044126,0.0,9.103404070044126
CHIS,HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIP,HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHSP,HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIS,HB1,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIP,HB1,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHSP,HB1,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIS,1HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIP,1HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHSP,1HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIS,HB2,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIP,HB2,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHSP,HB2,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIS,2HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIP,2HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHSP,2HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIS,HB3,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIP,HB3,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHSP,HB3,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIS,3HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIP,3HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHSP,3HB,0.16438720164607004,1.4585010540076797,0.0,0.0,1.4585010540076797,0.0,1.4585010540076797
CHIS,CG,0.2047114126857687,8.65716385189032,0.0,0.0,8.65716385189032,0.0,8.65716385189032
CHIP,CG,0.2047114126857687,8.65716385189032,0.0,0.0,8.65716385189032,0.0,8.65716385189032
CHSP,CG,0.2047114126857687,8.65716385189032,0.0,0.0,8.65716385189032,0.0,8.65716385189032
CHIS,O,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIP,O,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHSP,O,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIS,OXT,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIP,OXT,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHSP,OXT,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIS,OT1,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIP,OT1,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHSP,OT1,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIS,OT2,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIP,OT2,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHSP,OT2,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIS,OC1,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIP,OC1,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHSP,OC1,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIS,OC2,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIP,OC2,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHSP,OC2,-0.7403101759710896,6.450418073154287,0.0,0.0,6.450418073154287,0.0,6.450418073154287
CHIS,ND,-0.20367011472829888,6.201809742504156,0.0,0.0,6.201809742504156,0.0,6.201809742504156
CHIP,ND,-0.20367011472829888,6.201809742504156,0.0,0.0,6.201809742504156,0.0,6.201809742504156
CHSP,ND,-0.20367011472829888,6.201809742504156,0.0,0.0,6.201809742504156,0.0,6.201809742504156
CHIS,ND1,-0.20367011472829888,6.201809742504156,0.0,0.0,6.201809742504156,0.0,6.201809742504156
CHIP,ND1,-0.20367011472829888,6.201809742504156,0.0,0.0,6.201809742504156,0.0,6.201809742504156
CHSP,ND1,-0.20367011472829888,6.201809742504156,0.0,0.0,6.201809742504156,0.0,6.201809742504156
CHIS,CD,-0.13199550134343152,7.953835187265371,0.0,0.0,7.953835187265371,0.0,7.953835187265371
CHIP,CD,-0.13199550134343152,7.953835187265371,0.0,0.0,7.953835187265371,0.0,7.953835187265371
CHSP,CD,-0.13199550134343152,7.953835187265371,0.0,0.0,7.953835187265371,0.0,7.953835187265371
CHIS,CD1,-0.13199550134343152,7.953835187265371,0.0,0.0,7.953835187265371,0.0,7.953835187265371
CHIP,CD1,-0.13199550134343152,7.953835187265371,0.0,0.0,7.953835187265371,0.0,7.953835187265371
CHSP,CD1,-0.13199550134343152,7.953835187265371,0.0,0.0,7.953835187265371,0.0,7.953835187265371
CHIS,CD2,-0.13199550134343152,7.953835187265371,0.0,0.0,7.953835187265371,0.0,7.953835187265371
CHIP,CD2,-0.13199550134343152,7.953835187265371,0.0,0.0,7.953835187265371,0.0,7.953835187265371
CHSP,CD2,-0.13199550134343152,7.953835187265371,0.0,0.0,7.953835187265371,0.0,7.953835187265371
CHIS,HD1,0.3555013211186629,1.1227094847993455,0.0,0.0,1.1227094847993455,0.0,1.1227094847993455
CHIP,HD1,0.3555013211186629,1.1227094847993455,0.0,0.0,1.1227094847993455,0.0,1.1227094847993455
CHSP,HD1,0.3555013211186629,1.1227094847993455,0.0,0.0,1.1227094847993455,0.0,1.1227094847993455
CHIS,CE,-0.022253188184812207,7.666947391575458,0.0,0.0,7.666947391575458,0.0,7.666947391575458
CHIP,CE,-0.022253188184812207,7.666947391575458,0.0,0.0,7.666947391575458,0.0,7.666947391575458
CHSP,CE,-0.022253188184812207,7.666947391575458,0.0,0.0,7.666947391575458,0.0,7.666947391575458
CHIS,CE1,-0.022253188184812207,7.666947391575458,0.0,0.0,7.666947391575458,0.0,7.666947391575458
CHIP,CE1,-0.022253188184812207,7.666947391575458,0.0,0.0,7.666947391575458,0.0,7.666947391575458
CHSP,CE1,-0.022253188184812207,7.666947391575458,0.0,0.0,7.666947391575458,0.0,7.666947391575458
CHIS,CE2,-0.022253188184812207,7.666947391575458,0.0,0.0,7.666947391575458,0.0,7.666947391575458
CHIP,CE2,-0.022253188184812207,7.666947391575458,0.0,0.0,7.666947391575458,0.0,7.666947391575458
CHSP,CE2,-0.022253188184812207,7.666947391575458,0.0,0.0,7.666947391575458,0.0,7.666947391575458
CHIS,NE,-0.20945922606293246,6.103625534681444,0.0,0.0,6.103625534681444,0.0,6.103625534681444
CHIP,NE,-0.20945922606293246,6.103625534681444,0.0,0.0,6.103625534681444,0.0,6.103625534681444
CHSP,NE,-0.20945922606293246,6.103625534681444,0.0,0.0,6.103625534681444,0.0,6.103625534681444
CHIS,NE2,-0.20945922606293246,6.103625534681444,0.0,0.0,6.103625534681444,0.0,6.103625534681444
CHIP,NE2,-0.20945922606293246,6.103625534681444,0.0,0.0,6.103625534681444,0.0,6.103625534681444
CHSP,NE2,-0.20945922606293246,6.103625534681444,0.0,0.0,6.103625534681444,0.0,6.103625534681444
CHIS,HD2,0.21402928826995482,1.6822150681656038,0.0,0.0,1.6822150681656038,0.0,1.6822150681656038
CHIP,HD2,0.21402928826995482,1.6822150681656038,0.0,0.0,1.6822150681656038,0.0,1.6822150681656038
CHSP,HD2,0.21402928826995482,1.6822150681656038,0.0,0.0,1.6822150681656038,0.0,1.6822150681656038
CHIS,HE1,0.22012686790635472,1.9523493035971091,0.0,0.0,1.9523493035971091,0.0,1.9523493035971091
CHIP,HE1,0.22012686790635472,1.9523493035971091,0.0,0.0,1.9523493035971091,0.0,1.9523493035971091
CHSP,HE1,0.22012686790635472,1.9523493035971091,0.0,0.0,1.9523493035971091,0.0,1.9523493035971091
CHIS,HE2,0.36903956585611375,1.4425275750031734,0.0,0.0,1.4425275750031734,0.0,1.4425275750031734
CHIP,HE2,0.36903956585611375,1.4425275750031734,0.0,0.0,1.4425275750031734,0.0,1.4425275750031734
CHSP,HE2,0.36903956585611375,1.4425275750031734,0.0,0.0,1.4425275750031734,0.0,1.4425275750031734
CHIS,HNE2,0.36903956585611375,1.4425275750031734,0.0,0.0,1.4425275750031734,0.0,1.4425275750031734
CHIP,HNE2,0.36903956585611375,1.4425275750031734,0.0,0.0,1.4425275750031734,0.0,1.4425275750031734
CHSP,HNE2,0.36903956585611375,1.4425275750031734,0.0,0.0,1.4425275750031734,0.0,1.4425275750031734
CILE,N,-0.6661272657592703,8.103109150325494,0.0,0.0,8.103109150325494,0.0,8.103109150325494
CILE,HN,0.314057793794763,1.312038439517245,0.0,0.0,1.312038439517245,0.0,1.312038439517245
CILE,H,0.314057793794763,1.312038439517245,0.0,0.0,1.312038439517245,0.0,1.312038439517245
CILE,CA,0.07081847555869371,9.707385578534618,0.0,0.0,9.707385578534618,0.0,9.707385578534618
CILE,HA,0.027491452130452548,1.8023282033867447,0.0,0.0,1.8023282033867447,0.0,1.8023282033867447
CILE,CB,0.2314183259527247,8.362355616383846,0.0,0.0,8.362355616383846,0.0,8.362355616383846
CILE,C,0.9385167862680159,9.821748245942127,0.0,0.0,9.821748245942127,0.0,9.821748245942127
CILE,HB,-0.0446301165181108,1.734951754116432,0.0,0.0,1.734951754116432,0.0,1.734951754116432
CILE,HB1,-0.0446301165181108,1.734951754116432,0.0,0.0,1.734951754116432,0.0,1.734951754116432
CILE,1HB,-0.0446301165181108,1.734951754116432,0.0,0.0,1.734951754116432,0.0,1.734951754116432
CILE,HB2,-0.0446301165181108,1.734951754116432,0.0,0.0,1.734951754116432,0.0,1.734951754116432
CILE,2HB,-0.0446301165181108,1.734951754116432,0.0,0.0,1.734951754116432,0.0,1.734951754116432
CILE,HB3,-0.0446301165181108,1.734951754116432,0.0,0.0,1.734951754116432,0.0,1.734951754116432
CILE,3HB,-0.0446301165181108,1.734951754116432,0.0,0.0,1.734951754116432,0.0,1.734951754116432
CILE,CG2,-0.3962839992130443,7.801731912465667,0.0,0.0,7.801731912465667,0.0,7.801731912465667
CILE,CG1,0.10823802502030506,7.93198837923358,0.0,0.0,7.93198837923358,0.0,7.93198837923358
CILE,O,-0.8183560906130617,6.89319752950469,0.0,0.0,6.89319752950469,0.0,6.89319752950469
CILE,OXT,-0.8183560906130617,6.89319752950469,0.0,0.0,6.89319752950469,0.0,6.89319752950469
CILE,OT1,-0.8183560906130617,6.89319752950469,0.0,0.0,6.89319752950469,0.0,6.89319752950469
CILE,OT2,-0.8183560906130617,6.89319752950469,0.0,0.0,6.89319752950469,0.0,6.89319752950469
CILE,OC1,-0.8183560906130617,6.89319752950469,0.0,0.0,6.89319752950469,0.0,6.89319752950469
CILE,OC2,-0.8183560906130617,6.89319752950469,0.0,0.0,6.89319752950469,0.0,6.89319752950469
CILE,HG2,0.08066696675419978,1.5410124755665646,0.0,0.0,1.5410124755665646,0.0,1.5410124755665646
CILE,HG21,0.08066696675419978,1.5410124755665646,0.0,0.0,1.5410124755665646,0.0,1.5410124755665646
CILE,1HG2,0.08066696675419978,1.5410124755665646,0.0,0.0,1.5410124755665646,0.0,1.5410124755665646
CILE,HG21,0.08066696675419978,1.5410124755665646,0.0,0.0,1.5410124755665646,0.0,1.5410124755665646
CILE,HG22,0.08066696675419978,1.5410124755665646,0.0,0.0,1.5410124755665646,0.0,1.5410124755665646
CILE,2HG2,0.08066696675419978,1.5410124755665646,0.0,0.0,1.5410124755665646,0.0,1.5410124755665646
CILE,HG23,0.08066696675419978,1.5410124755665646,0.0,0.0,1.5410124755665646,0.0,1.5410124755665646
CILE,3HG2,0.08066696675419978,1.5410124755665646,0.0,0.0,1.5410124755665646,0.0,1.5410124755665646
CILE,HG1,-0.0388213535798413,1.6545053177529299,0.0,0.0,1.6545053177529299,0.0,1.6545053177529299
CILE,HG12,-0.0388213535798413,1.6545053177529299,0.0,0.0,1.6545053177529299,0.0,1.6545053177529299
CILE,1HG1,-0.0388213535798413,1.6545053177529299,0.0,0.0,1.6545053177529299,0.0,1.6545053177529299
CILE,HG11,-0.0388213535798413,1.6545053177529299,0.0,0.0,1.6545053177529299,0.0,1.6545053177529299
CILE,HG13,-0.0388213535798413,1.6545053177529299,0.0,0.0,1.6545053177529299,0.0,1.6545053177529299
CILE,2HG1,-0.0388213535798413,1.6545053177529299,0.0,0.0,1.6545053177529299,0.0,1.6545053177529299
CILE,CD,-0.20220497224079284,8.239096772260904,0.0,0.0,8.239096772260904,0.0,8.239096772260904
CILE,CD1,-0.20220497224079284,8.239096772260904,0.0,0.0,8.239096772260904,0.0,8.239096772260904
CILE,CD2,-0.20220497224079284,8.239096772260904,0.0,0.0,8.239096772260904,0.0,8.239096772260904
CILE,HD,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CILE,HD11,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CILE,1HD1,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CILE,HD12,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CILE,2HD1,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CILE,HD13,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CILE,3HD1,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CILE,HD1,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CILE,HD2,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CILE,HD3,0.03035316104315659,1.7018141913174993,0.0,0.0,1.7018141913174993,0.0,1.7018141913174993
CLEU,N,-0.6800592029130226,8.204273704974408,0.0,0.0,8.204273704974408,0.0,8.204273704974408
CLEU,HN,0.31912296553325525,1.4078183379993376,0.0,0.0,1.4078183379993376,0.0,1.4078183379993376
CLEU,H,0.31912296553325525,1.4078183379993376,0.0,0.0,1.4078183379993376,0.0,1.4078183379993376
CLEU,CA,0.12970694347241707,9.782980368889246,0.0,0.0,9.782980368889246,0.0,9.782980368889246
CLEU,HA,0.048943837517487314,1.7779341515866116,0.0,0.0,1.7779341515866116,0.0,1.7779341515866116
CLEU,CB,-0.19632132247112047,8.427759264278677,0.0,0.0,8.427759264278677,0.0,8.427759264278677
CLEU,C,0.8995800349668682,10.151520592074972,0.0,0.0,10.151520592074972,0.0,10.151520592074972
CLEU,HB,0.027982371024582828,1.7047879694386203,0.0,0.0,1.7047879694386203,0.0,1.7047879694386203
CLEU,HB1,0.027982371024582828,1.7047879694386203,0.0,0.0,1.7047879694386203,0.0,1.7047879694386203
CLEU,1HB,0.027982371024582828,1.7047879694386203,0.0,0.0,1.7047879694386203,0.0,1.7047879694386203
CLEU,HB2,0.027982371024582828,1.7047879694386203,0.0,0.0,1.7047879694386203,0.0,1.7047879694386203
CLEU,2HB,0.027982371024582828,1.7047879694386203,0.0,0.0,1.7047879694386203,0.0,1.7047879694386203
CLEU,HB3,0.027982371024582828,1.7047879694386203,0.0,0.0,1.7047879694386203,0.0,1.7047879694386203
CLEU,3HB,0.027982371024582828,1.7047879694386203,0.0,0.0,1.7047879694386203,0.0,1.7047879694386203
CLEU,CG,0.5368200640765992,7.907822240950357,0.0,0.0,7.907822240950357,0.0,7.907822240950357
CLEU,O,-0.8059556289475077,7.12674283107248,0.0,0.0,7.12674283107248,0.0,7.12674283107248
CLEU,OXT,-0.8059556289475077,7.12674283107248,0.0,0.0,7.12674283107248,0.0,7.12674283107248
CLEU,OT1,-0.8059556289475077,7.12674283107248,0.0,0.0,7.12674283107248,0.0,7.12674283107248
CLEU,OT2,-0.8059556289475077,7.12674283107248,0.0,0.0,7.12674283107248,0.0,7.12674283107248
CLEU,OC1,-0.8059556289475077,7.12674283107248,0.0,0.0,7.12674283107248,0.0,7.12674283107248
CLEU,OC2,-0.8059556289475077,7.12674283107248,0.0,0.0,7.12674283107248,0.0,7.12674283107248
CLEU,HG,-0.06807048590973606,1.921096331228556,0.0,0.0,1.921096331228556,0.0,1.921096331228556
CLEU,1HG,-0.06807048590973606,1.921096331228556,0.0,0.0,1.921096331228556,0.0,1.921096331228556
CLEU,HG1,-0.06807048590973606,1.921096331228556,0.0,0.0,1.921096331228556,0.0,1.921096331228556
CLEU,HG2,-0.06807048590973606,1.921096331228556,0.0,0.0,1.921096331228556,0.0,1.921096331228556
CLEU,2HG,-0.06807048590973606,1.921096331228556,0.0,0.0,1.921096331228556,0.0,1.921096331228556
CLEU,HG3,-0.06807048590973606,1.921096331228556,0.0,0.0,1.921096331228556,0.0,1.921096331228556
CLEU,3HG,-0.06807048590973606,1.921096331228556,0.0,0.0,1.921096331228556,0.0,1.921096331228556
CLEU,CD,-0.5325364139687649,8.018729176757304,0.0,0.0,8.018729176757304,0.0,8.018729176757304
CLEU,CD1,-0.5325364139687649,8.018729176757304,0.0,0.0,8.018729176757304,0.0,8.018729176757304
CLEU,CD2,-0.5325364139687649,8.018729176757304,0.0,0.0,8.018729176757304,0.0,8.018729176757304
CLEU,HD,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,HD11,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,1HD1,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,HD12,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,2HD1,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,HD13,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,3HD1,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,HD21,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,1HD2,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,HD22,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,2HD2,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,HD23,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLEU,3HD2,0.10521608491843863,1.5224293981700396,0.0,0.0,1.5224293981700396,0.0,1.5224293981700396
CLYS,N,-0.5714295353082309,8.212163649285987,0.0,0.0,8.212163649285987,0.0,8.212163649285987
CLYS,HN,0.29446480726421254,1.0134982733546192,0.0,0.0,1.0134982733546192,0.0,1.0134982733546192
CLYS,H,0.29446480726421254,1.0134982733546192,0.0,0.0,1.0134982733546192,0.0,1.0134982733546192
CLYS,CA,0.07619081213811518,11.639015067581774,0.0,0.0,11.639015067581774,0.0,11.639015067581774
CLYS,HA,0.031085078954039388,1.4257462929029412,0.0,0.0,1.4257462929029412,0.0,1.4257462929029412
CLYS,CB,-0.17050207543374646,11.391769497660903,0.0,0.0,11.391769497660903,0.0,11.391769497660903
CLYS,C,0.9113538292557134,9.919392005345609,0.0,0.0,9.919392005345609,0.0,9.919392005345609
CLYS,HB,0.0508915688658808,0.6196040207750313,0.0,0.0,0.6196040207750313,0.0,0.6196040207750313
CLYS,HB1,0.0508915688658808,0.6196040207750313,0.0,0.0,0.6196040207750313,0.0,0.6196040207750313
CLYS,1HB,0.0508915688658808,0.6196040207750313,0.0,0.0,0.6196040207750313,0.0,0.6196040207750313
CLYS,HB2,0.0508915688658808,0.6196040207750313,0.0,0.0,0.6196040207750313,0.0,0.6196040207750313
CLYS,2HB,0.0508915688658808,0.6196040207750313,0.0,0.0,0.6196040207750313,0.0,0.6196040207750313
CLYS,HB3,0.0508915688658808,0.6196040207750313,0.0,0.0,0.6196040207750313,0.0,0.6196040207750313
CLYS,3HB,0.0508915688658808,0.6196040207750313,0.0,0.0,0.6196040207750313,0.0,0.6196040207750313
CLYS,CG,0.02580481577246349,10.264031647829935,0.0,0.0,10.264031647829935,0.0,10.264031647829935
CLYS,O,-0.7750353106561461,6.239691681958752,0.0,0.0,6.239691681958752,0.0,6.239691681958752
CLYS,OXT,-0.7750353106561461,6.239691681958752,0.0,0.0,6.239691681958752,0.0,6.239691681958752
CLYS,OT1,-0.7750353106561461,6.239691681958752,0.0,0.0,6.239691681958752,0.0,6.239691681958752
CLYS,OT2,-0.7750353106561461,6.239691681958752,0.0,0.0,6.239691681958752,0.0,6.239691681958752
CLYS,OC1,-0.7750353106561461,6.239691681958752,0.0,0.0,6.239691681958752,0.0,6.239691681958752
CLYS,OC2,-0.7750353106561461,6.239691681958752,0.0,0.0,6.239691681958752,0.0,6.239691681958752
CLYS,HG,0.020345184816351527,0.3339434743110945,0.0,0.0,0.3339434743110945,0.0,0.3339434743110945
CLYS,1HG,0.020345184816351527,0.3339434743110945,0.0,0.0,0.3339434743110945,0.0,0.3339434743110945
CLYS,HG1,0.020345184816351527,0.3339434743110945,0.0,0.0,0.3339434743110945,0.0,0.3339434743110945
CLYS,HG2,0.020345184816351527,0.3339434743110945,0.0,0.0,0.3339434743110945,0.0,0.3339434743110945
CLYS,2HG,0.020345184816351527,0.3339434743110945,0.0,0.0,0.3339434743110945,0.0,0.3339434743110945
CLYS,HG3,0.020345184816351527,0.3339434743110945,0.0,0.0,0.3339434743110945,0.0,0.3339434743110945
CLYS,3HG,0.020345184816351527,0.3339434743110945,0.0,0.0,0.3339434743110945,0.0,0.3339434743110945
CLYS,CD,-0.08714826095747304,10.383402756024985,0.0,0.0,10.383402756024985,0.0,10.383402756024985
CLYS,HD,0.06413005089376114,0.6123939952393033,0.0,0.0,0.6123939952393033,0.0,0.6123939952393033
CLYS,1HD,0.06413005089376114,0.6123939952393033,0.0,0.0,0.6123939952393033,0.0,0.6123939952393033
CLYS,HD1,0.06413005089376114,0.6123939952393033,0.0,0.0,0.6123939952393033,0.0,0.6123939952393033
CLYS,HD2,0.06413005089376114,0.6123939952393033,0.0,0.0,0.6123939952393033,0.0,0.6123939952393033
CLYS,2HD,0.06413005089376114,0.6123939952393033,0.0,0.0,0.6123939952393033,0.0,0.6123939952393033
CLYS,HD3,0.06413005089376114,0.6123939952393033,0.0,0.0,0.6123939952393033,0.0,0.6123939952393033
CLYS,3HD,0.06413005089376114,0.6123939952393033,0.0,0.0,0.6123939952393033,0.0,0.6123939952393033
CLYS,CE,-0.021306763814240688,9.3391772492201,0.0,0.0,9.3391772492201,0.0,9.3391772492201
CLYS,HE,0.11376736749508505,0.5785600479540663,0.0,0.0,0.5785600479540663,0.0,0.5785600479540663
CLYS,HE2,0.11376736749508505,0.5785600479540663,0.0,0.0,0.5785600479540663,0.0,0.5785600479540663
CLYS,1HE,0.11376736749508505,0.5785600479540663,0.0,0.0,0.5785600479540663,0.0,0.5785600479540663
CLYS,HE1,0.11376736749508505,0.5785600479540663,0.0,0.0,0.5785600479540663,0.0,0.5785600479540663
CLYS,HE3,0.11376736749508505,0.5785600479540663,0.0,0.0,0.5785600479540663,0.0,0.5785600479540663
CLYS,2HE,0.11376736749508505,0.5785600479540663,0.0,0.0,0.5785600479540663,0.0,0.5785600479540663
CLYS,NZ,-0.4210107726969508,7.099092044616544,0.0,0.0,7.099092044616544,0.0,7.099092044616544
CLYS,HZ,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CLYS,HZ1,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CLYS,1HZ,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CLYS,HNZ1,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CLYS,HZ2,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CLYS,2HZ,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CLYS,HNZ2,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CLYS,HZ3,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CLYS,3HZ,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CLYS,HNZ3,0.32810011399874434,2.220446049250313e-16,0.0,0.0,2.220446049250313e-16,0.0,2.220446049250313e-16
CMET,N,-0.6846490737774195,8.057764316442228,0.0,0.0,8.057764316442228,0.0,8.057764316442228
CMET,HN,0.32072141802511056,1.155614450857664,0.0,0.0,1.155614450857664,0.0,1.155614450857664
CMET,H,0.32072141802511056,1.155614450857664,0.0,0.0,1.155614450857664,0.0,1.155614450857664
CMET,CA,0.19817001401658335,10.14602546899719,0.0,0.0,10.14602546899719,0.0,10.14602546899719
CMET,HA,0.004528618882935114,1.6410078220084192,0.0,0.0,1.6410078220084192,0.0,1.6410078220084192
CMET,CB,0.04136845193198704,8.919457561739431,0.0,0.0,8.919457561739431,0.0,8.919457561739431
CMET,C,0.8841174459494421,10.088534893105473,0.0,0.0,10.088534893105473,0.0,10.088534893105473
CMET,HB,-0.012921178920370304,1.0948232689499262,0.0,0.0,1.0948232689499262,0.0,1.0948232689499262
CMET,HB1,-0.012921178920370304,1.0948232689499262,0.0,0.0,1.0948232689499262,0.0,1.0948232689499262
CMET,1HB,-0.012921178920370304,1.0948232689499262,0.0,0.0,1.0948232689499262,0.0,1.0948232689499262
CMET,HB2,-0.012921178920370304,1.0948232689499262,0.0,0.0,1.0948232689499262,0.0,1.0948232689499262
CMET,2HB,-0.012921178920370304,1.0948232689499262,0.0,0.0,1.0948232689499262,0.0,1.0948232689499262
CMET,HB3,-0.012921178920370304,1.0948232689499262,0.0,0.0,1.0948232689499262,0.0,1.0948232689499262
CMET,3HB,-0.012921178920370304,1.0948232689499262,0.0,0.0,1.0948232689499262,0.0,1.0948232689499262
CMET,CG,-0.04938683709396678,9.798697902751444,0.0,0.0,9.798697902751444,0.0,9.798697902751444
CMET,O,-0.8034962861812991,6.764663139703638,0.0,0.0,6.764663139703638,0.0,6.764663139703638
CMET,OXT,-0.8034962861812991,6.764663139703638,0.0,0.0,6.764663139703638,0.0,6.764663139703638
CMET,OT1,-0.8034962861812991,6.764663139703638,0.0,0.0,6.764663139703638,0.0,6.764663139703638
CMET,OT2,-0.8034962861812991,6.764663139703638,0.0,0.0,6.764663139703638,0.0,6.764663139703638
CMET,OC1,-0.8034962861812991,6.764663139703638,0.0,0.0,6.764663139703638,0.0,6.764663139703638
CMET,OC2,-0.8034962861812991,6.764663139703638,0.0,0.0,6.764663139703638,0.0,6.764663139703638
CMET,HG,0.057231881502260724,1.2620582080236542,0.0,0.0,1.2620582080236542,0.0,1.2620582080236542
CMET,1HG,0.057231881502260724,1.2620582080236542,0.0,0.0,1.2620582080236542,0.0,1.2620582080236542
CMET,HG1,0.057231881502260724,1.2620582080236542,0.0,0.0,1.2620582080236542,0.0,1.2620582080236542
CMET,HG2,0.057231881502260724,1.2620582080236542,0.0,0.0,1.2620582080236542,0.0,1.2620582080236542
CMET,2HG,0.057231881502260724,1.2620582080236542,0.0,0.0,1.2620582080236542,0.0,1.2620582080236542
CMET,HG3,0.057231881502260724,1.2620582080236542,0.0,0.0,1.2620582080236542,0.0,1.2620582080236542
CMET,3HG,0.057231881502260724,1.2620582080236542,0.0,0.0,1.2620582080236542,0.0,1.2620582080236542
CMET,SD,-0.21373493136160107,19.83137501883026,0.0,0.0,19.83137501883026,0.0,19.83137501883026
CMET,CE,-0.5222590672179478,8.929616906228155,0.0,0.0,8.929616906228155,0.0,8.929616906228155
CMET,HE,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CMET,HE1,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CMET,1HE,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CMET,HE1,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CMET,HE2,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CMET,2HE,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CMET,HE2,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CMET,HE3,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CMET,3HE,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CMET,HE3,0.1798317092812313,1.3288087855091204,0.0,0.0,1.3288087855091204,0.0,1.3288087855091204
CPHE,N,-0.6952308793116595,8.566766572391494,0.0,0.0,8.566766572391494,0.0,8.566766572391494
CPHE,HN,0.32918025841075077,1.28229422147498,0.0,0.0,1.28229422147498,0.0,1.28229422147498
CPHE,H,0.32918025841075077,1.28229422147498,0.0,0.0,1.28229422147498,0.0,1.28229422147498
CPHE,CA,0.3221740276544664,9.739043754084651,0.0,0.0,9.739043754084651,0.0,9.739043754084651
CPHE,HA,-0.012344482234380278,1.639916770276088,0.0,0.0,1.639916770276088,0.0,1.639916770276088
CPHE,CB,-0.360309630860826,9.491409424226923,0.0,0.0,9.491409424226923,0.0,9.491409424226923
CPHE,C,0.8269178618487933,9.274893000638906,0.0,0.0,9.274893000638906,0.0,9.274893000638906
CPHE,HB,0.06955352137217044,1.3883921889601014,0.0,0.0,1.3883921889601014,0.0,1.3883921889601014
CPHE,HB1,0.06955352137217044,1.3883921889601014,0.0,0.0,1.3883921889601014,0.0,1.3883921889601014
CPHE,1HB,0.06955352137217044,1.3883921889601014,0.0,0.0,1.3883921889601014,0.0,1.3883921889601014
CPHE,HB2,0.06955352137217044,1.3883921889601014,0.0,0.0,1.3883921889601014,0.0,1.3883921889601014
CPHE,2HB,0.06955352137217044,1.3883921889601014,0.0,0.0,1.3883921889601014,0.0,1.3883921889601014
CPHE,HB3,0.06955352137217044,1.3883921889601014,0.0,0.0,1.3883921889601014,0.0,1.3883921889601014
CPHE,3HB,0.06955352137217044,1.3883921889601014,0.0,0.0,1.3883921889601014,0.0,1.3883921889601014
CPHE,CG,0.22535623051359027,9.303853087021576,0.0,0.0,9.303853087021576,0.0,9.303853087021576
CPHE,O,-0.7769045436208672,6.501714864652855,0.0,0.0,6.501714864652855,0.0,6.501714864652855
CPHE,OXT,-0.7769045436208672,6.501714864652855,0.0,0.0,6.501714864652855,0.0,6.501714864652855
CPHE,OT1,-0.7769045436208672,6.501714864652855,0.0,0.0,6.501714864652855,0.0,6.501714864652855
CPHE,OT2,-0.7769045436208672,6.501714864652855,0.0,0.0,6.501714864652855,0.0,6.501714864652855
CPHE,OC1,-0.7769045436208672,6.501714864652855,0.0,0.0,6.501714864652855,0.0,6.501714864652855
CPHE,OC2,-0.7769045436208672,6.501714864652855,0.0,0.0,6.501714864652855,0.0,6.501714864652855
CPHE,CD,-0.17292223529842732,8.843559648528517,0.0,0.0,8.843559648528517,0.0,8.843559648528517
CPHE,CD1,-0.17292223529842732,8.843559648528517,0.0,0.0,8.843559648528517,0.0,8.843559648528517
CPHE,CD2,-0.17292223529842732,8.843559648528517,0.0,0.0,8.843559648528517,0.0,8.843559648528517
CPHE,HD,0.13670209707182696,1.4693925953338767,0.0,0.0,1.4693925953338767,0.0,1.4693925953338767
CPHE,HD1,0.13670209707182696,1.4693925953338767,0.0,0.0,1.4693925953338767,0.0,1.4693925953338767
CPHE,HD2,0.13670209707182696,1.4693925953338767,0.0,0.0,1.4693925953338767,0.0,1.4693925953338767
CPHE,CE,-0.18254338529782696,9.182525919039035,0.0,0.0,9.182525919039035,0.0,9.182525919039035
CPHE,CE1,-0.18254338529782696,9.182525919039035,0.0,0.0,9.182525919039035,0.0,9.182525919039035
CPHE,CE2,-0.18254338529782696,9.182525919039035,0.0,0.0,9.182525919039035,0.0,9.182525919039035
CPHE,HE,0.12128976312468269,1.9554175403210292,0.0,0.0,1.9554175403210292,0.0,1.9554175403210292
CPHE,HE1,0.12128976312468269,1.9554175403210292,0.0,0.0,1.9554175403210292,0.0,1.9554175403210292
CPHE,HE2,0.12128976312468269,1.9554175403210292,0.0,0.0,1.9554175403210292,0.0,1.9554175403210292
CPHE,CZ,-0.13263112430246787,9.365822835882566,0.0,0.0,9.365822835882566,0.0,9.365822835882566
CPHE,HZ,0.10653730357861568,2.298460141397869,0.0,0.0,2.298460141397869,0.0,2.298460141397869
CPRO,N,-0.33130456612075065,8.260804326363909,0.0,0.0,8.260804326363909,0.0,8.260804326363909
CPRO,CD,-0.023160027516153165,7.571635359796565,0.0,0.0,7.571635359796565,0.0,7.571635359796565
CPRO,CA,0.039233514466863774,9.53125879654533,0.0,0.0,9.53125879654533,0.0,9.53125879654533
CPRO,HD,0.04301579607506603,1.6226159615270146,0.0,0.0,1.6226159615270146,0.0,1.6226159615270146
CPRO,HD2,0.04301579607506603,1.6226159615270146,0.0,0.0,1.6226159615270146,0.0,1.6226159615270146
CPRO,1HD,0.04301579607506603,1.6226159615270146,0.0,0.0,1.6226159615270146,0.0,1.6226159615270146
CPRO,HD2,0.04301579607506603,1.6226159615270146,0.0,0.0,1.6226159615270146,0.0,1.6226159615270146
CPRO,HD3,0.04301579607506603,1.6226159615270146,0.0,0.0,1.6226159615270146,0.0,1.6226159615270146
CPRO,2HD,0.04301579607506603,1.6226159615270146,0.0,0.0,1.6226159615270146,0.0,1.6226159615270146
CPRO,HD1,0.04301579607506603,1.6226159615270146,0.0,0.0,1.6226159615270146,0.0,1.6226159615270146
CPRO,CG,-0.036724347280986204,7.91307383678951,0.0,0.0,7.91307383678951,0.0,7.91307383678951
CPRO,CB,-0.015729611719450063,7.5517327825482194,0.0,0.0,7.5517327825482194,0.0,7.5517327825482194
CPRO,HA,-0.02419359125952805,2.0323356994807926,0.0,0.0,2.0323356994807926,0.0,2.0323356994807926
CPRO,C,0.8426943681439968,10.04177570236359,0.0,0.0,10.04177570236359,0.0,10.04177570236359
CPRO,HG,0.0024427350054471667,1.8342224087550327,0.0,0.0,1.8342224087550327,0.0,1.8342224087550327
CPRO,1HG,0.0024427350054471667,1.8342224087550327,0.0,0.0,1.8342224087550327,0.0,1.8342224087550327
CPRO,HG1,0.0024427350054471667,1.8342224087550327,0.0,0.0,1.8342224087550327,0.0,1.8342224087550327
CPRO,HG2,0.0024427350054471667,1.8342224087550327,0.0,0.0,1.8342224087550327,0.0,1.8342224087550327
CPRO,2HG,0.0024427350054471667,1.8342224087550327,0.0,0.0,1.8342224087550327,0.0,1.8342224087550327
CPRO,HG3,0.0024427350054471667,1.8342224087550327,0.0,0.0,1.8342224087550327,0.0,1.8342224087550327
CPRO,3HG,0.0024427350054471667,1.8342224087550327,0.0,0.0,1.8342224087550327,0.0,1.8342224087550327
CPRO,HB,0.015483309587660874,1.618980705576694,0.0,0.0,1.618980705576694,0.0,1.618980705576694
CPRO,HB1,0.015483309587660874,1.618980705576694,0.0,0.0,1.618980705576694,0.0,1.618980705576694
CPRO,1HB,0.015483309587660874,1.618980705576694,0.0,0.0,1.618980705576694,0.0,1.618980705576694
CPRO,HB2,0.015483309587660874,1.618980705576694,0.0,0.0,1.618980705576694,0.0,1.618980705576694
CPRO,2HB,0.015483309587660874,1.618980705576694,0.0,0.0,1.618980705576694,0.0,1.618980705576694
CPRO,HB3,0.015483309587660874,1.618980705576694,0.0,0.0,1.618980705576694,0.0,1.618980705576694
CPRO,3HB,0.015483309587660874,1.618980705576694,0.0,0.0,1.618980705576694,0.0,1.618980705576694
CPRO,O,-0.7863497100251702,7.044808955998102,0.0,0.0,7.044808955998102,0.0,7.044808955998102
CPRO,OXT,-0.7863497100251702,7.044808955998102,0.0,0.0,7.044808955998102,0.0,7.044808955998102
CPRO,OT1,-0.7863497100251702,7.044808955998102,0.0,0.0,7.044808955998102,0.0,7.044808955998102
CPRO,OT2,-0.7863497100251702,7.044808955998102,0.0,0.0,7.044808955998102,0.0,7.044808955998102
CPRO,OC1,-0.7863497100251702,7.044808955998102,0.0,0.0,7.044808955998102,0.0,7.044808955998102
CPRO,OC2,-0.7863497100251702,7.044808955998102,0.0,0.0,7.044808955998102,0.0,7.044808955998102
CSER,N,-0.6496614147650999,7.9667597251774,0.0,0.0,7.9667597251774,0.0,7.9667597251774
CSER,HN,0.32694301616350185,1.2443051391164326,0.0,0.0,1.2443051391164326,0.0,1.2443051391164326
CSER,H,0.32694301616350185,1.2443051391164326,0.0,0.0,1.2443051391164326,0.0,1.2443051391164326
CSER,CA,0.11358510527223091,9.87175629695775,0.0,0.0,9.87175629695775,0.0,9.87175629695775
CSER,HA,0.025943044628410298,1.8232468201679468,0.0,0.0,1.8232468201679468,0.0,1.8232468201679468
CSER,CB,0.09590138381602954,8.033475997160176,0.0,0.0,8.033475997160176,0.0,8.033475997160176
CSER,C,0.8693474537782654,9.973504238952462,0.0,0.0,9.973504238952462,0.0,9.973504238952462
CSER,HB,0.0005293994932602963,1.579244230202783,0.0,0.0,1.579244230202783,0.0,1.579244230202783
CSER,HB1,0.0005293994932602963,1.579244230202783,0.0,0.0,1.579244230202783,0.0,1.579244230202783
CSER,1HB,0.0005293994932602963,1.579244230202783,0.0,0.0,1.579244230202783,0.0,1.579244230202783
CSER,HB2,0.0005293994932602963,1.579244230202783,0.0,0.0,1.579244230202783,0.0,1.579244230202783
CSER,2HB,0.0005293994932602963,1.579244230202783,0.0,0.0,1.579244230202783,0.0,1.579244230202783
CSER,HB3,0.0005293994932602963,1.579244230202783,0.0,0.0,1.579244230202783,0.0,1.579244230202783
CSER,3HB,0.0005293994932602963,1.579244230202783,0.0,0.0,1.579244230202783,0.0,1.579244230202783
CSER,OG,-0.5569371610857327,6.067715936280594,0.0,0.0,6.067715936280594,0.0,6.067715936280594
CSER,O,-0.7859583702142219,6.858934544735832,0.0,0.0,6.858934544735832,0.0,6.858934544735832
CSER,OXT,-0.7859583702142219,6.858934544735832,0.0,0.0,6.858934544735832,0.0,6.858934544735832
CSER,OT1,-0.7859583702142219,6.858934544735832,0.0,0.0,6.858934544735832,0.0,6.858934544735832
CSER,OT2,-0.7859583702142219,6.858934544735832,0.0,0.0,6.858934544735832,0.0,6.858934544735832
CSER,OC1,-0.7859583702142219,6.858934544735832,0.0,0.0,6.858934544735832,0.0,6.858934544735832
CSER,OC2,-0.7859583702142219,6.858934544735832,0.0,0.0,6.858934544735832,0.0,6.858934544735832
CSER,HG,0.3457365136343178,1.66135224180417,0.0,0.0,1.66135224180417,0.0,1.66135224180417
CSER,HG1,0.3457365136343178,1.66135224180417,0.0,0.0,1.66135224180417,0.0,1.66135224180417
CTHR,N,-0.6477852518370005,8.05833193582322,0.0,0.0,8.05833193582322,0.0,8.05833193582322
CTHR,HN,0.3265728349918585,1.2532596036024228,0.0,0.0,1.2532596036024228,0.0,1.2532596036024228
CTHR,H,0.3265728349918585,1.2532596036024228,0.0,0.0,1.2532596036024228,0.0,1.2532596036024228
CTHR,CA,0.08420251847440045,9.758662160057366,0.0,0.0,9.758662160057366,0.0,9.758662160057366
CTHR,HA,0.024851022695492206,1.8287323669470814,0.0,0.0,1.8287323669470814,0.0,1.8287323669470814
CTHR,CB,0.4320203060030383,8.08025138386824,0.0,0.0,8.08025138386824,0.0,8.08025138386824
CTHR,C,0.879260724756423,9.693169996330603,0.0,0.0,9.693169996330603,0.0,9.693169996330603
CTHR,HB,-0.07206798485800703,1.8277928044014626,0.0,0.0,1.8277928044014626,0.0,1.8277928044014626
CTHR,HB1,-0.07206798485800703,1.8277928044014626,0.0,0.0,1.8277928044014626,0.0,1.8277928044014626
CTHR,1HB,-0.07206798485800703,1.8277928044014626,0.0,0.0,1.8277928044014626,0.0,1.8277928044014626
CTHR,HB2,-0.07206798485800703,1.8277928044014626,0.0,0.0,1.8277928044014626,0.0,1.8277928044014626
CTHR,2HB,-0.07206798485800703,1.8277928044014626,0.0,0.0,1.8277928044014626,0.0,1.8277928044014626
CTHR,HB3,-0.07206798485800703,1.8277928044014626,0.0,0.0,1.8277928044014626,0.0,1.8277928044014626
CTHR,3HB,-0.07206798485800703,1.8277928044014626,0.0,0.0,1.8277928044014626,0.0,1.8277928044014626
CTHR,CG,-0.3313018783812005,8.138741840264498,0.0,0.0,8.138741840264498,0.0,8.138741840264498
CTHR,CG2,-0.3313018783812005,8.138741840264498,0.0,0.0,8.138741840264498,0.0,8.138741840264498
CTHR,OG,-0.6484118376190015,5.9925332107117155,0.0,0.0,5.9925332107117155,0.0,5.9925332107117155
CTHR,OG1,-0.6484118376190015,5.9925332107117155,0.0,0.0,5.9925332107117155,0.0,5.9925332107117155
CTHR,O,-0.7921715790689723,6.77569702868366,0.0,0.0,6.77569702868366,0.0,6.77569702868366
CTHR,OXT,-0.7921715790689723,6.77569702868366,0.0,0.0,6.77569702868366,0.0,6.77569702868366
CTHR,OT1,-0.7921715790689723,6.77569702868366,0.0,0.0,6.77569702868366,0.0,6.77569702868366
CTHR,OT2,-0.7921715790689723,6.77569702868366,0.0,0.0,6.77569702868366,0.0,6.77569702868366
CTHR,OC1,-0.7921715790689723,6.77569702868366,0.0,0.0,6.77569702868366,0.0,6.77569702868366
CTHR,OC2,-0.7921715790689723,6.77569702868366,0.0,0.0,6.77569702868366,0.0,6.77569702868366
CTHR,HG2,0.06309160315686507,1.583361214507421,0.0,0.0,1.583361214507421,0.0,1.583361214507421
CTHR,HG21,0.06309160315686507,1.583361214507421,0.0,0.0,1.583361214507421,0.0,1.583361214507421
CTHR,1HG2,0.06309160315686507,1.583361214507421,0.0,0.0,1.583361214507421,0.0,1.583361214507421
CTHR,HG22,0.06309160315686507,1.583361214507421,0.0,0.0,1.583361214507421,0.0,1.583361214507421
CTHR,2HG2,0.06309160315686507,1.583361214507421,0.0,0.0,1.583361214507421,0.0,1.583361214507421
CTHR,HG23,0.06309160315686507,1.583361214507421,0.0,0.0,1.583361214507421,0.0,1.583361214507421
CTHR,3HG2,0.06309160315686507,1.583361214507421,0.0,0.0,1.583361214507421,0.0,1.583361214507421
CTHR,HG1,0.347727894441346,1.6532076580783086,0.0,0.0,1.6532076580783086,0.0,1.6532076580783086
CTHR,HG1,0.347727894441346,1.6532076580783086,0.0,0.0,1.6532076580783086,0.0,1.6532076580783086
CTHR,HOG1,0.347727894441346,1.6532076580783086,0.0,0.0,1.6532076580783086,0.0,1.6532076580783086
CTRP,N,-0.6977622964594632,8.446401265893277,0.0,0.0,8.446401265893277,0.0,8.446401265893277
CTRP,HN,0.33008944033643683,1.134762615101531,0.0,0.0,1.134762615101531,0.0,1.134762615101531
CTRP,H,0.33008944033643683,1.134762615101531,0.0,0.0,1.134762615101531,0.0,1.134762615101531
CTRP,CA,0.2985851340855557,9.524738615204802,0.0,0.0,9.524738615204802,0.0,9.524738615204802
CTRP,HA,-0.00462407771024644,1.5100614049372023,0.0,0.0,1.5100614049372023,0.0,1.5100614049372023
CTRP,CB,-0.2974207019864597,9.233293933784518,0.0,0.0,9.233293933784518,0.0,9.233293933784518
CTRP,C,0.8221082278335381,8.789431912889583,0.0,0.0,8.789431912889583,0.0,8.789431912889583
CTRP,HB,0.06535671962422196,1.0099805772256887,0.0,0.0,1.0099805772256887,0.0,1.0099805772256887
CTRP,HB1,0.06535671962422196,1.0099805772256887,0.0,0.0,1.0099805772256887,0.0,1.0099805772256887
CTRP,1HB,0.06535671962422196,1.0099805772256887,0.0,0.0,1.0099805772256887,0.0,1.0099805772256887
CTRP,HB2,0.06535671962422196,1.0099805772256887,0.0,0.0,1.0099805772256887,0.0,1.0099805772256887
CTRP,2HB,0.06535671962422196,1.0099805772256887,0.0,0.0,1.0099805772256887,0.0,1.0099805772256887
CTRP,HB3,0.06535671962422196,1.0099805772256887,0.0,0.0,1.0099805772256887,0.0,1.0099805772256887
CTRP,3HB,0.06535671962422196,1.0099805772256887,0.0,0.0,1.0099805772256887,0.0,1.0099805772256887
CTRP,CG,0.01752138993619201,9.71242272358272,0.0,0.0,9.71242272358272,0.0,9.71242272358272
CTRP,O,-0.7713344302740573,6.19901380384835,0.0,0.0,6.19901380384835,0.0,6.19901380384835
CTRP,OXT,-0.7713344302740573,6.19901380384835,0.0,0.0,6.19901380384835,0.0,6.19901380384835
CTRP,OT1,-0.7713344302740573,6.19901380384835,0.0,0.0,6.19901380384835,0.0,6.19901380384835
CTRP,OT2,-0.7713344302740573,6.19901380384835,0.0,0.0,6.19901380384835,0.0,6.19901380384835
CTRP,OC1,-0.7713344302740573,6.19901380384835,0.0,0.0,6.19901380384835,0.0,6.19901380384835
CTRP,OC2,-0.7713344302740573,6.19901380384835,0.0,0.0,6.19901380384835,0.0,6.19901380384835
CTRP,CD1,-0.22659514442519516,9.36302431329885,0.0,0.0,9.36302431329885,0.0,9.36302431329885
CTRP,CD2,0.14111284278421724,9.469905743756472,0.0,0.0,9.469905743756472,0.0,9.469905743756472
CTRP,HD,0.19506201507715423,1.8528060182058959,0.0,0.0,1.8528060182058959,0.0,1.8528060182058959
CTRP,HD1,0.19506201507715423,1.8528060182058959,0.0,0.0,1.8528060182058959,0.0,1.8528060182058959
CTRP,NE,-0.4042268046219868,7.313061694176333,0.0,0.0,7.313061694176333,0.0,7.313061694176333
CTRP,NE1,-0.4042268046219868,7.313061694176333,0.0,0.0,7.313061694176333,0.0,7.313061694176333
CTRP,CE2,0.21057220426089454,9.490736753108871,0.0,0.0,9.490736753108871,0.0,9.490736753108871
CTRP,CE3,-0.1953289520731826,9.169168413825576,0.0,0.0,9.169168413825576,0.0,9.169168413825576
CTRP,HE1,0.3354787826108567,1.3963121209021563,0.0,0.0,1.3963121209021563,0.0,1.3963121209021563
CTRP,CZ2,-0.29618091767274307,10.169896198754119,0.0,0.0,10.169896198754119,0.0,10.169896198754119
CTRP,CZ3,-0.20082355530076856,9.623701686330287,0.0,0.0,9.623701686330287,0.0,9.623701686330287
CTRP,HE3,0.15605267615551496,1.4550069306665234,0.0,0.0,1.4550069306665234,0.0,1.4550069306665234
CTRP,HZ2,0.14114166545129816,2.0715897313552443,0.0,0.0,2.0715897313552443,0.0,2.0715897313552443
CTRP,CH2,-0.1645806394752998,9.644898573054977,0.0,0.0,9.644898573054977,0.0,9.644898573054977
CTRP,HZ3,0.12760148781431102,2.1068462156205423,0.0,0.0,2.1068462156205423,0.0,2.1068462156205423
CTRP,HH2,0.12417264467904632,2.2646514372331685,0.0,0.0,2.2646514372331685,0.0,2.2646514372331685
CTYR,N,-0.6918507822775202,8.585072881250262,0.0,0.0,8.585072881250262,0.0,8.585072881250262
CTYR,HN,0.3268934426851845,1.2585596695684822,0.0,0.0,1.2585596695684822,0.0,1.2585596695684822
CTYR,H,0.3268934426851845,1.2585596695684822,0.0,0.0,1.2585596695684822,0.0,1.2585596695684822
CTYR,CA,0.29462991373876846,9.761440106212497,0.0,0.0,9.761440106212497,0.0,9.761440106212497
CTYR,HA,-0.00683204697224615,1.615518236874969,0.0,0.0,1.615518236874969,0.0,1.615518236874969
CTYR,CB,-0.3206046849228739,9.561824648441924,0.0,0.0,9.561824648441924,0.0,9.561824648441924
CTYR,C,0.8321761287437075,9.255767934103547,0.0,0.0,9.255767934103547,0.0,9.255767934103547
CTYR,HB,0.0628587277640449,1.3400766207828132,0.0,0.0,1.3400766207828132,0.0,1.3400766207828132
CTYR,HB1,0.0628587277640449,1.3400766207828132,0.0,0.0,1.3400766207828132,0.0,1.3400766207828132
CTYR,1HB,0.0628587277640449,1.3400766207828132,0.0,0.0,1.3400766207828132,0.0,1.3400766207828132
CTYR,HB2,0.0628587277640449,1.3400766207828132,0.0,0.0,1.3400766207828132,0.0,1.3400766207828132
CTYR,2HB,0.0628587277640449,1.3400766207828132,0.0,0.0,1.3400766207828132,0.0,1.3400766207828132
CTYR,HB3,0.0628587277640449,1.3400766207828132,0.0,0.0,1.3400766207828132,0.0,1.3400766207828132
CTYR,3HB,0.0628587277640449,1.3400766207828132,0.0,0.0,1.3400766207828132,0.0,1.3400766207828132
CTYR,CG,0.1996003657301784,9.442219880396795,0.0,0.0,9.442219880396795,0.0,9.442219880396795
CTYR,O,-0.7766140503414247,6.467915099564008,0.0,0.0,6.467915099564008,0.0,6.467915099564008
CTYR,OXT,-0.7766140503414247,6.467915099564008,0.0,0.0,6.467915099564008,0.0,6.467915099564008
CTYR,OT1,-0.7766140503414247,6.467915099564008,0.0,0.0,6.467915099564008,0.0,6.467915099564008
CTYR,OT2,-0.7766140503414247,6.467915099564008,0.0,0.0,6.467915099564008,0.0,6.467915099564008
CTYR,OC1,-0.7766140503414247,6.467915099564008,0.0,0.0,6.467915099564008,0.0,6.467915099564008
CTYR,OC2,-0.7766140503414247,6.467915099564008,0.0,0.0,6.467915099564008,0.0,6.467915099564008
CTYR,CD,-0.20782706617289917,8.849849878256268,0.0,0.0,8.849849878256268,0.0,8.849849878256268
CTYR,CD1,-0.20782706617289917,8.849849878256268,0.0,0.0,8.849849878256268,0.0,8.849849878256268
CTYR,CD2,-0.20782706617289917,8.849849878256268,0.0,0.0,8.849849878256268,0.0,8.849849878256268
CTYR,HD,0.1594601308444722,1.4159275121247485,0.0,0.0,1.4159275121247485,0.0,1.4159275121247485
CTYR,HD1,0.1594601308444722,1.4159275121247485,0.0,0.0,1.4159275121247485,0.0,1.4159275121247485
CTYR,HD2,0.1594601308444722,1.4159275121247485,0.0,0.0,1.4159275121247485,0.0,1.4159275121247485
CTYR,CE,-0.28848735189141056,9.333388735647178,0.0,0.0,9.333388735647178,0.0,9.333388735647178
CTYR,CE1,-0.28848735189141056,9.333388735647178,0.0,0.0,9.333388735647178,0.0,9.333388735647178
CTYR,CE2,-0.28848735189141056,9.333388735647178,0.0,0.0,9.333388735647178,0.0,9.333388735647178
CTYR,HE,0.15779440098617187,1.877598972752067,0.0,0.0,1.877598972752067,0.0,1.877598972752067
CTYR,HE1,0.15779440098617187,1.877598972752067,0.0,0.0,1.877598972752067,0.0,1.877598972752067
CTYR,HE2,0.15779440098617187,1.877598972752067,0.0,0.0,1.877598972752067,0.0,1.877598972752067
CTYR,CZ,0.3249661315992384,8.818716798362843,0.0,0.0,8.818716798362843,0.0,8.818716798362843
CTYR,OH,-0.49673890713407703,6.093851487553693,0.0,0.0,6.093851487553693,0.0,6.093851487553693
CTYR,HH,0.32339085643173093,1.2329730793401488,0.0,0.0,1.2329730793401488,0.0,1.2329730793401488
CVAL,N,-0.6966685537274703,8.198472409512071,0.0,0.0,8.198472409512071,0.0,8.198472409512071
CVAL,HN,0.3196871987458367,1.4229282973925597,0.0,0.0,1.4229282973925597,0.0,1.4229282973925597
CVAL,H,0.3196871987458367,1.4229282973925597,0.0,0.0,1.4229282973925597,0.0,1.4229282973925597
CVAL,CA,0.14033602541061854,9.755526619567965,0.0,0.0,9.755526619567965,0.0,9.755526619567965
CVAL,HA,0.0032464431193358913,1.8992702738831784,0.0,0.0,1.8992702738831784,0.0,1.8992702738831784
CVAL,CB,0.42837577591212106,8.283674649619739,0.0,0.0,8.283674649619739,0.0,8.283674649619739
CVAL,C,0.9151701242091,9.838866591767475,0.0,0.0,9.838866591767475,0.0,9.838866591767475
CVAL,HB,-0.08614700886542327,1.8938412568059868,0.0,0.0,1.8938412568059868,0.0,1.8938412568059868
CVAL,HB1,-0.08614700886542327,1.8938412568059868,0.0,0.0,1.8938412568059868,0.0,1.8938412568059868
CVAL,1HB,-0.08614700886542327,1.8938412568059868,0.0,0.0,1.8938412568059868,0.0,1.8938412568059868
CVAL,HB2,-0.08614700886542327,1.8938412568059868,0.0,0.0,1.8938412568059868,0.0,1.8938412568059868
CVAL,2HB,-0.08614700886542327,1.8938412568059868,0.0,0.0,1.8938412568059868,0.0,1.8938412568059868
CVAL,HB3,-0.08614700886542327,1.8938412568059868,0.0,0.0,1.8938412568059868,0.0,1.8938412568059868
CVAL,3HB,-0.08614700886542327,1.8938412568059868,0.0,0.0,1.8938412568059868,0.0,1.8938412568059868
CVAL,CG,-0.4250989212060347,8.154021976579358,0.0,0.0,8.154021976579358,0.0,8.154021976579358
CVAL,CG1,-0.4250989212060347,8.154021976579358,0.0,0.0,8.154021976579358,0.0,8.154021976579358
CVAL,CG2,-0.4250989212060347,8.154021976579358,0.0,0.0,8.154021976579358,0.0,8.154021976579358
CVAL,O,-0.8176268148885389,7.013378023823222,0.0,0.0,7.013378023823222,0.0,7.013378023823222
CVAL,OXT,-0.8176268148885389,7.013378023823222,0.0,0.0,7.013378023823222,0.0,7.013378023823222
CVAL,OT1,-0.8176268148885389,7.013378023823222,0.0,0.0,7.013378023823222,0.0,7.013378023823222
CVAL,OT2,-0.8176268148885389,7.013378023823222,0.0,0.0,7.013378023823222,0.0,7.013378023823222
CVAL,OC1,-0.8176268148885389,7.013378023823222,0.0,0.0,7.013378023823222,0.0,7.013378023823222
CVAL,OC2,-0.8176268148885389,7.013378023823222,0.0,0.0,7.013378023823222,0.0,7.013378023823222
CVAL,HG,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,HG11,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,1HG1,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,HG21,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,HG12,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,2HG1,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,HG22,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,HG13,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,3HG1,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,HG23,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,HG21,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,1HG2,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,HG22,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,2HG2,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,HG23,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CVAL,3HG2,0.07690857789750478,1.5129063102444744,0.0,0.0,1.5129063102444744,0.0,1.5129063102444744
CASH,N,-0.6465181334056769,7.956573782616175,0.0,0.0,7.956573782616175,0.0,7.956573782616175
CASH,HN,0.32403836918399626,1.2486203091874128,0.0,0.0,1.2486203091874128,0.0,1.2486203091874128
CASH,H,0.32403836918399626,1.2486203091874128,0.0,0.0,1.2486203091874128,0.0,1.2486203091874128
CASH,CA,0.17286504698099503,9.475389615664916,0.0,0.0,9.475389615664916,0.0,9.475389615664916
CASH,HA,0.02888502423822439,1.5702455219554825,0.0,0.0,1.5702455219554825,0.0,1.5702455219554825
CASH,CB,-0.325191575137311,8.443489640146511,0.0,0.0,8.443489640146511,0.0,8.443489640146511
CASH,C,0.8689327155250021,9.968338314453764,0.0,0.0,9.968338314453764,0.0,9.968338314453764
CASH,HB,0.09827901409600512,1.3140618719816883,0.0,0.0,1.3140618719816883,0.0,1.3140618719816883
CASH,HB1,0.09827901409600512,1.3140618719816883,0.0,0.0,1.3140618719816883,0.0,1.3140618719816883
CASH,1HB,0.09827901409600512,1.3140618719816883,0.0,0.0,1.3140618719816883,0.0,1.3140618719816883
CASH,HB2,0.09827901409600512,1.3140618719816883,0.0,0.0,1.3140618719816883,0.0,1.3140618719816883
CASH,2HB,0.09827901409600512,1.3140618719816883,0.0,0.0,1.3140618719816883,0.0,1.3140618719816883
CASH,HB3,0.09827901409600512,1.3140618719816883,0.0,0.0,1.3140618719816883,0.0,1.3140618719816883
CASH,3HB,0.09827901409600512,1.3140618719816883,0.0,0.0,1.3140618719816883,0.0,1.3140618719816883
CASH,CG,0.7027397791113378,7.805201220806245,0.0,0.0,7.805201220806245,0.0,7.805201220806245
CASH,O,-0.7847807759382806,6.834972458849234,0.0,0.0,6.834972458849234,0.0,6.834972458849234
CASH,OXT,-0.7847807759382806,6.834972458849234,0.0,0.0,6.834972458849234,0.0,6.834972458849234
CASH,OT1,-0.7847807759382806,6.834972458849234,0.0,0.0,6.834972458849234,0.0,6.834972458849234
CASH,OT2,-0.7847807759382806,6.834972458849234,0.0,0.0,6.834972458849234,0.0,6.834972458849234
CASH,OC1,-0.7847807759382806,6.834972458849234,0.0,0.0,6.834972458849234,0.0,6.834972458849234
CASH,OC2,-0.7847807759382806,6.834972458849234,0.0,0.0,6.834972458849234,0.0,6.834972458849234
CASH,OD1,-0.5350687108063565,5.3424422182657825,0.0,0.0,5.3424422182657825,0.0,5.3424422182657825
CASH,OD2,-0.5985360874219542,6.126244907235233,0.0,0.0,6.126244907235233,0.0,6.126244907235233
CASH,HD,0.38085709541629376,1.6313327308154046,0.0,0.0,1.6313327308154046,0.0,1.6313327308154046
CASH,HD2,0.38085709541629376,1.6313327308154046,0.0,0.0,1.6313327308154046,0.0,1.6313327308154046
CASH,HD1,0.38085709541629376,1.6313327308154046,0.0,0.0,1.6313327308154046,0.0,1.6313327308154046
CCYD,N,-0.9735403408701959,9.040763121529803,0.0,0.0,9.040763121529803,0.0,9.040763121529803
CCYM,N,-0.9735403408701959,9.040763121529803,0.0,0.0,9.040763121529803,0.0,9.040763121529803
CCYD,HN,0.38700025165944874,0.5282542690198289,0.0,0.0,0.5282542690198289,0.0,0.5282542690198289
CCYM,HN,0.38700025165944874,0.5282542690198289,0.0,0.0,0.5282542690198289,0.0,0.5282542690198289
CCYD,H,0.38700025165944874,0.5282542690198289,0.0,0.0,0.5282542690198289,0.0,0.5282542690198289
CCYM,H,0.38700025165944874,0.5282542690198289,0.0,0.0,0.5282542690198289,0.0,0.5282542690198289
CCYD,CA,0.6413783570097388,13.408693780791852,0.0,0.0,13.408693780791852,0.0,13.408693780791852
CCYM,CA,0.6413783570097388,13.408693780791852,0.0,0.0,13.408693780791852,0.0,13.408693780791852
CCYD,HA,-0.1422246685001391,1.0923227679632377,0.0,0.0,1.0923227679632377,0.0,1.0923227679632377
CCYM,HA,-0.1422246685001391,1.0923227679632377,0.0,0.0,1.0923227679632377,0.0,1.0923227679632377
CCYD,CB,0.25271675432546303,14.538810627185725,0.0,0.0,14.538810627185725,0.0,14.538810627185725
CCYM,CB,0.25271675432546303,14.538810627185725,0.0,0.0,14.538810627185725,0.0,14.538810627185725
CCYD,C,0.8549091407416309,10.912986813666175,0.0,0.0,10.912986813666175,0.0,10.912986813666175
CCYM,C,0.8549091407416309,10.912986813666175,0.0,0.0,10.912986813666175,0.0,10.912986813666175
CCYD,HB,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYM,HB,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYD,HB1,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYM,HB1,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYD,1HB,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYM,1HB,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYD,HB2,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYM,HB2,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYD,2HB,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYM,2HB,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYD,HB3,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYM,HB3,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYD,3HB,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYM,3HB,-0.09938669932169711,0.137882616026964,0.0,0.0,0.137882616026964,0.0,0.137882616026964
CCYD,SG,-1.0838895911344606,37.668928962292156,0.0,0.0,37.668928962292156,0.0,37.668928962292156
CCYM,SG,-1.0838895911344606,37.668928962292156,0.0,0.0,37.668928962292156,0.0,37.668928962292156
CCYD,O,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYM,O,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYD,OXT,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYM,OXT,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYD,OT1,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYM,OT1,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYD,OT2,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYM,OT2,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYD,OC1,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYM,OC1,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYD,OC2,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYM,OC2,-0.8687882522940459,6.474939215745803,0.0,0.0,6.474939215745803,0.0,6.474939215745803
CCYX,N,-0.6850043307608659,8.167429738007073,0.0,0.0,8.167429738007073,0.0,8.167429738007073
CCYS1,N,-0.6850043307608659,8.167429738007073,0.0,0.0,8.167429738007073,0.0,8.167429738007073
CCYS2,N,-0.6850043307608659,8.167429738007073,0.0,0.0,8.167429738007073,0.0,8.167429738007073
CCYX,HN,0.3258786301636185,1.0521490636435917,0.0,0.0,1.0521490636435917,0.0,1.0521490636435917
CCYS1,HN,0.3258786301636185,1.0521490636435917,0.0,0.0,1.0521490636435917,0.0,1.0521490636435917
CCYS2,HN,0.3258786301636185,1.0521490636435917,0.0,0.0,1.0521490636435917,0.0,1.0521490636435917
CCYX,H,0.3258786301636185,1.0521490636435917,0.0,0.0,1.0521490636435917,0.0,1.0521490636435917
CCYS1,H,0.3258786301636185,1.0521490636435917,0.0,0.0,1.0521490636435917,0.0,1.0521490636435917
CCYS2,H,0.3258786301636185,1.0521490636435917,0.0,0.0,1.0521490636435917,0.0,1.0521490636435917
CCYX,CA,0.3999121734346919,11.540611477078238,0.0,0.0,11.540611477078238,0.0,11.540611477078238
CCYS1,CA,0.3999121734346919,11.540611477078238,0.0,0.0,11.540611477078238,0.0,11.540611477078238
CCYS2,CA,0.3999121734346919,11.540611477078238,0.0,0.0,11.540611477078238,0.0,11.540611477078238
CCYX,HA,-0.013327599490547832,1.472545747477008,0.0,0.0,1.472545747477008,0.0,1.472545747477008
CCYS1,HA,-0.013327599490547832,1.472545747477008,0.0,0.0,1.472545747477008,0.0,1.472545747477008
CCYS2,HA,-0.013327599490547832,1.472545747477008,0.0,0.0,1.472545747477008,0.0,1.472545747477008
CCYX,CB,-0.21345003709320903,10.83760047834878,0.0,0.0,10.83760047834878,0.0,10.83760047834878
CCYS1,CB,-0.21345003709320903,10.83760047834878,0.0,0.0,10.83760047834878,0.0,10.83760047834878
CCYS2,CB,-0.21345003709320903,10.83760047834878,0.0,0.0,10.83760047834878,0.0,10.83760047834878
CCYX,C,0.8193839673855933,10.660798097542218,0.0,0.0,10.660798097542218,0.0,10.660798097542218
CCYS1,C,0.8193839673855933,10.660798097542218,0.0,0.0,10.660798097542218,0.0,10.660798097542218
CCYS2,C,0.8193839673855933,10.660798097542218,0.0,0.0,10.660798097542218,0.0,10.660798097542218
CCYX,HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS1,HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS2,HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYX,HB1,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS1,HB1,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS2,HB1,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYX,1HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS1,1HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS2,1HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYX,HB2,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS1,HB2,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS2,HB2,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYX,2HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS1,2HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS2,2HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYX,HB3,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS1,HB3,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS2,HB3,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYX,3HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS1,3HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYS2,3HB,0.07025700030101832,0.7567489991618732,0.0,0.0,0.7567489991618732,0.0,0.7567489991618732
CCYX,SG,-0.22177678117730448,22.218373214577824,0.0,0.0,22.218373214577824,0.0,22.218373214577824
CCYS1,SG,-0.22177678117730448,22.218373214577824,0.0,0.0,22.218373214577824,0.0,22.218373214577824
CCYS2,SG,-0.22177678117730448,22.218373214577824,0.0,0.0,22.218373214577824,0.0,22.218373214577824
CCYX,S,-0.22177678117730448,22.218373214577824,0.0,0.0,22.218373214577824,0.0,22.218373214577824
CCYS1,S,-0.22177678117730448,22.218373214577824,0.0,0.0,22.218373214577824,0.0,22.218373214577824
CCYS2,S,-0.22177678117730448,22.218373214577824,0.0,0.0,22.218373214577824,0.0,22.218373214577824
CCYX,O,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS1,O,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS2,O,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYX,OXT,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS1,OXT,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS2,OXT,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYX,OT1,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS1,OT1,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS2,OT1,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYX,OT2,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS1,OT2,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS2,OT2,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYX,OC1,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS1,OC1,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS2,OC1,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYX,OC2,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS1,OC2,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CCYS2,OC2,-0.7760650115320065,4.4080708925325345,0.0,0.0,4.4080708925325345,0.0,4.4080708925325345
CGLH,N,-0.6618609896592498,8.066567993786855,0.0,0.0,8.066567993786855,0.0,8.066567993786855
CGLH,HN,0.321431965470857,1.2302111964000932,0.0,0.0,1.2302111964000932,0.0,1.2302111964000932
CGLH,H,0.321431965470857,1.2302111964000932,0.0,0.0,1.2302111964000932,0.0,1.2302111964000932
CGLH,CA,0.14584590971815242,9.816901572215196,0.0,0.0,9.816901572215196,0.0,9.816901572215196
CGLH,HA,0.015528053259803557,1.7362293175956085,0.0,0.0,1.7362293175956085,0.0,1.7362293175956085
CGLH,CB,-0.06994129573607784,8.012363127909131,0.0,0.0,8.012363127909131,0.0,8.012363127909131
CGLH,C,0.8992189463663649,9.961833716839278,0.0,0.0,9.961833716839278,0.0,9.961833716839278
CGLH,HB,0.01736000414099442,1.2607760523757638,0.0,0.0,1.2607760523757638,0.0,1.2607760523757638
CGLH,HB1,0.01736000414099442,1.2607760523757638,0.0,0.0,1.2607760523757638,0.0,1.2607760523757638
CGLH,1HB,0.01736000414099442,1.2607760523757638,0.0,0.0,1.2607760523757638,0.0,1.2607760523757638
CGLH,HB2,0.01736000414099442,1.2607760523757638,0.0,0.0,1.2607760523757638,0.0,1.2607760523757638
CGLH,2HB,0.01736000414099442,1.2607760523757638,0.0,0.0,1.2607760523757638,0.0,1.2607760523757638
CGLH,HB3,0.01736000414099442,1.2607760523757638,0.0,0.0,1.2607760523757638,0.0,1.2607760523757638
CGLH,3HB,0.01736000414099442,1.2607760523757638,0.0,0.0,1.2607760523757638,0.0,1.2607760523757638
CGLH,CG,-0.06127100096891257,8.16355116839578,0.0,0.0,8.16355116839578,0.0,8.16355116839578
CGLH,O,-0.8002460139847908,6.85529469381253,0.0,0.0,6.85529469381253,0.0,6.85529469381253
CGLH,OXT,-0.8002460139847908,6.85529469381253,0.0,0.0,6.85529469381253,0.0,6.85529469381253
CGLH,OT1,-0.8002460139847908,6.85529469381253,0.0,0.0,6.85529469381253,0.0,6.85529469381253
CGLH,OT2,-0.8002460139847908,6.85529469381253,0.0,0.0,6.85529469381253,0.0,6.85529469381253
CGLH,OC1,-0.8002460139847908,6.85529469381253,0.0,0.0,6.85529469381253,0.0,6.85529469381253
CGLH,OC2,-0.8002460139847908,6.85529469381253,0.0,0.0,6.85529469381253,0.0,6.85529469381253
CGLH,HG,0.038993533708779074,1.3561096243213633,0.0,0.0,1.3561096243213633,0.0,1.3561096243213633
CGLH,1HG,0.038993533708779074,1.3561096243213633,0.0,0.0,1.3561096243213633,0.0,1.3561096243213633
CGLH,HG1,0.038993533708779074,1.3561096243213633,0.0,0.0,1.3561096243213633,0.0,1.3561096243213633
CGLH,HG2,0.038993533708779074,1.3561096243213633,0.0,0.0,1.3561096243213633,0.0,1.3561096243213633
CGLH,2HG,0.038993533708779074,1.3561096243213633,0.0,0.0,1.3561096243213633,0.0,1.3561096243213633
CGLH,HG3,0.038993533708779074,1.3561096243213633,0.0,0.0,1.3561096243213633,0.0,1.3561096243213633
CGLH,3HG,0.038993533708779074,1.3561096243213633,0.0,0.0,1.3561096243213633,0.0,1.3561096243213633
CGLH,CD,0.663222658251888,7.7090098600350405,0.0,0.0,7.7090098600350405,0.0,7.7090098600350405
CGLH,OE1,-0.5860756744407893,5.947935466731615,0.0,0.0,5.947935466731615,0.0,5.947935466731615
CGLH,OE2,-0.5734076562051444,5.52221525222884,0.0,0.0,5.52221525222884,0.0,5.52221525222884
CGLH,HE,0.39509403621314254,1.5926301704221366,0.0,0.0,1.5926301704221366,0.0,1.5926301704221366
CGLH,HE2,0.39509403621314254,1.5926301704221366,0.0,0.0,1.5926301704221366,0.0,1.5926301704221366
CLYD,N,-0.6826425352748781,8.11761861317698,0.0,0.0,8.11761861317698,0.0,8.11761861317698
CLYN,N,-0.6826425352748781,8.11761861317698,0.0,0.0,8.11761861317698,0.0,8.11761861317698
CLYD,HN,0.3247038604128978,1.2594052843647146,0.0,0.0,1.2594052843647146,0.0,1.2594052843647146
CLYN,HN,0.3247038604128978,1.2594052843647146,0.0,0.0,1.2594052843647146,0.0,1.2594052843647146
CLYD,H,0.3247038604128978,1.2594052843647146,0.0,0.0,1.2594052843647146,0.0,1.2594052843647146
CLYN,H,0.3247038604128978,1.2594052843647146,0.0,0.0,1.2594052843647146,0.0,1.2594052843647146
CLYD,CA,0.16663828684763785,9.80615312027208,0.0,0.0,9.80615312027208,0.0,9.80615312027208
CLYN,CA,0.16663828684763785,9.80615312027208,0.0,0.0,9.80615312027208,0.0,9.80615312027208
CLYD,HA,0.0012551732170877445,1.7476732354005093,0.0,0.0,1.7476732354005093,0.0,1.7476732354005093
CLYN,HA,0.0012551732170877445,1.7476732354005093,0.0,0.0,1.7476732354005093,0.0,1.7476732354005093
CLYD,CB,-0.12241391068372301,8.341600354772732,0.0,0.0,8.341600354772732,0.0,8.341600354772732
CLYN,CB,-0.12241391068372301,8.341600354772732,0.0,0.0,8.341600354772732,0.0,8.341600354772732
CLYD,C,0.9032684834214572,10.080626850512818,0.0,0.0,10.080626850512818,0.0,10.080626850512818
CLYN,C,0.9032684834214572,10.080626850512818,0.0,0.0,10.080626850512818,0.0,10.080626850512818
CLYD,HB,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYN,HB,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYD,HB1,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYN,HB1,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYD,1HB,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYN,1HB,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYD,HB2,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYN,HB2,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYD,2HB,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYN,2HB,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYD,HB3,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYN,HB3,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYD,3HB,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYN,3HB,0.007435447833282963,1.3547219224878981,0.0,0.0,1.3547219224878981,0.0,1.3547219224878981
CLYD,CG,0.18032720237650693,8.047422557746652,0.0,0.0,8.047422557746652,0.0,8.047422557746652
CLYN,CG,0.18032720237650693,8.047422557746652,0.0,0.0,8.047422557746652,0.0,8.047422557746652
CLYD,O,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYN,O,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYD,OXT,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYN,OXT,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYD,OT1,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYN,OT1,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYD,OT2,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYN,OT2,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYD,OC1,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYN,OC1,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYD,OC2,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYN,OC2,-0.8078756823387987,6.930547599505874,0.0,0.0,6.930547599505874,0.0,6.930547599505874
CLYD,HG,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYN,HG,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYD,1HG,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYN,1HG,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYD,HG1,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYN,HG1,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYD,HG2,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYN,HG2,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYD,2HG,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYN,2HG,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYD,HG3,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYN,HG3,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYD,3HG,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYN,3HG,-0.04012625023886296,1.3977392559203579,0.0,0.0,1.3977392559203579,0.0,1.3977392559203579
CLYD,CD,-0.09259628490067558,7.992542702642533,0.0,0.0,7.992542702642533,0.0,7.992542702642533
CLYN,CD,-0.09259628490067558,7.992542702642533,0.0,0.0,7.992542702642533,0.0,7.992542702642533
CLYD,HD,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYN,HD,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYD,1HD,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYN,1HD,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYD,HD1,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYN,HD1,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYD,HD2,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYN,HD2,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYD,2HD,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYN,2HD,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYD,HD3,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYN,HD3,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYD,3HD,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYN,3HD,0.021959380188105334,1.5383683495511602,0.0,0.0,1.5383683495511602,0.0,1.5383683495511602
CLYD,CE,0.22790713558142237,7.9744969006304185,0.0,0.0,7.9744969006304185,0.0,7.9744969006304185
CLYN,CE,0.22790713558142237,7.9744969006304185,0.0,0.0,7.9744969006304185,0.0,7.9744969006304185
CLYD,HE,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYN,HE,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYD,HE2,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYN,HE2,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYD,1HE,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYN,1HE,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYD,HE1,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYN,HE1,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYD,HE3,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYN,HE3,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYD,2HE,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYN,2HE,-0.013440768505180516,1.6671510531414042,0.0,0.0,1.6671510531414042,0.0,1.6671510531414042
CLYD,NZ,-0.8282669205864848,8.054751562874833,0.0,0.0,8.054751562874833,0.0,8.054751562874833
CLYN,NZ,-0.8282669205864848,8.054751562874833,0.0,0.0,8.054751562874833,0.0,8.054751562874833
CLYD,HZ,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,HZ,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYD,HZ1,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,HZ1,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYD,1HZ,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,1HZ,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYD,HNZ1,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,HNZ1,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYD,HZ2,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,HZ2,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYD,2HZ,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,2HZ,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYD,HNZ2,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,HNZ2,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYD,HZ3,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,HZ3,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYD,3HZ,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,3HZ,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYD,HNZ3,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
CLYN,HNZ3,0.2929576278558297,1.444278777111504,0.0,0.0,1.444278777111504,0.0,1.444278777111504
AALA,CY,0.6906882274819649,7.626886771572464,0.0,0.0,7.626886771572464,0.0,7.626886771572464
AALA,OY,-0.5420750954317497,5.385898600079143,0.0,0.0,5.385898600079143,0.0,5.385898600079143
AALA,CAY,-0.5242833542049483,7.9715335213301675,0.0,0.0,7.9715335213301675,0.0,7.9715335213301675
AALA,CH3,-0.5242833542049483,7.9715335213301675,0.0,0.0,7.9715335213301675,0.0,7.9715335213301675
AALA,HY,0.14660641052321755,1.6526900110337732,0.0,0.0,1.6526900110337732,0.0,1.6526900110337732
AALA,HY1,0.14660641052321755,1.6526900110337732,0.0,0.0,1.6526900110337732,0.0,1.6526900110337732
AALA,HY2,0.14660641052321755,1.6526900110337732,0.0,0.0,1.6526900110337732,0.0,1.6526900110337732
AALA,HY3,0.14660641052321755,1.6526900110337732,0.0,0.0,1.6526900110337732,0.0,1.6526900110337732
AALA,HH31,0.14660641052321755,1.6526900110337732,0.0,0.0,1.6526900110337732,0.0,1.6526900110337732
AALA,HH32,0.14660641052321755,1.6526900110337732,0.0,0.0,1.6526900110337732,0.0,1.6526900110337732
AALA,HH33,0.14660641052321755,1.6526900110337732,0.0,0.0,1.6526900110337732,0.0,1.6526900110337732
AALA,N,-0.5736044164469968,7.452014552174972,0.0,0.0,7.452014552174972,0.0,7.452014552174972
AALA,HN,0.3078306214926021,1.4066554937430507,0.0,0.0,1.4066554937430507,0.0,1.4066554937430507
AALA,H,0.3078306214926021,1.4066554937430507,0.0,0.0,1.4066554937430507,0.0,1.4066554937430507
AALA,CA,0.13973246507522383,8.026118643419364,0.0,0.0,8.026118643419364,0.0,8.026118643419364
AALA,HA,0.08476912370815719,1.8656618711373847,0.0,0.0,1.8656618711373847,0.0,1.8656618711373847
AALA,CB,-0.4002708453106573,7.732254625718497,0.0,0.0,7.732254625718497,0.0,7.732254625718497
AALA,C,0.5249501800096901,8.003167813453397,0.0,0.0,8.003167813453397,0.0,8.003167813453397
AALA,HB,0.11838652266192605,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
AALA,HB1,0.11838652266192605,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
AALA,1HB,0.11838652266192605,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
AALA,HB2,0.11838652266192605,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
AALA,2HB,0.11838652266192605,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
AALA,HB3,0.11838652266192605,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
AALA,3HB,0.11838652266192605,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
AALA,O,-0.5027157059287167,5.670474844310833,0.0,0.0,5.670474844310833,0.0,5.670474844310833
AARG,CY,0.6659306108683289,7.676790575209182,0.0,0.0,7.676790575209182,0.0,7.676790575209182
AARG,OY,-0.506463162371361,5.339276601724275,0.0,0.0,5.339276601724275,0.0,5.339276601724275
AARG,CAY,-0.45164272138201855,7.786886734614733,0.0,0.0,7.786886734614733,0.0,7.786886734614733
AARG,CH3,-0.45164272138201855,7.786886734614733,0.0,0.0,7.786886734614733,0.0,7.786886734614733
AARG,HY,0.1357730329343793,1.5600872104393728,0.0,0.0,1.5600872104393728,0.0,1.5600872104393728
AARG,HY1,0.1357730329343793,1.5600872104393728,0.0,0.0,1.5600872104393728,0.0,1.5600872104393728
AARG,HY2,0.1357730329343793,1.5600872104393728,0.0,0.0,1.5600872104393728,0.0,1.5600872104393728
AARG,HY3,0.1357730329343793,1.5600872104393728,0.0,0.0,1.5600872104393728,0.0,1.5600872104393728
AARG,HH31,0.1357730329343793,1.5600872104393728,0.0,0.0,1.5600872104393728,0.0,1.5600872104393728
AARG,HH32,0.1357730329343793,1.5600872104393728,0.0,0.0,1.5600872104393728,0.0,1.5600872104393728
AARG,HH33,0.1357730329343793,1.5600872104393728,0.0,0.0,1.5600872104393728,0.0,1.5600872104393728
AARG,N,-0.5365228797400303,7.497335053614883,0.0,0.0,7.497335053614883,0.0,7.497335053614883
AARG,HN,0.2965797881229149,1.2908034279711849,0.0,0.0,1.2908034279711849,0.0,1.2908034279711849
AARG,H,0.2965797881229149,1.2908034279711849,0.0,0.0,1.2908034279711849,0.0,1.2908034279711849
AARG,CA,-0.07058156864631897,8.519607754131473,0.0,0.0,8.519607754131473,0.0,8.519607754131473
AARG,HA,0.1379825236162847,1.627871150640945,0.0,0.0,1.627871150640945,0.0,1.627871150640945
AARG,CB,-0.20217514219830757,8.034418360279215,0.0,0.0,8.034418360279215,0.0,8.034418360279215
AARG,C,0.619715985465878,8.230964635166217,0.0,0.0,8.230964635166217,0.0,8.230964635166217
AARG,HB,0.09571124540018194,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
AARG,HB1,0.09571124540018194,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
AARG,1HB,0.09571124540018194,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
AARG,HB2,0.09571124540018194,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
AARG,2HB,0.09571124540018194,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
AARG,HB3,0.09571124540018194,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
AARG,3HB,0.09571124540018194,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
AARG,CG,-0.0784119843509071,7.926259303942826,0.0,0.0,7.926259303942826,0.0,7.926259303942826
AARG,O,-0.5095412231300482,5.580545689280881,0.0,0.0,5.580545689280881,0.0,5.580545689280881
AARG,HG,0.08109388794524537,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
AARG,1HG,0.08109388794524537,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
AARG,HG1,0.08109388794524537,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
AARG,HG2,0.08109388794524537,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
AARG,2HG,0.08109388794524537,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
AARG,HG3,0.08109388794524537,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
AARG,3HG,0.08109388794524537,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
AARG,CD,-0.06806758976215159,7.507732747646795,0.0,0.0,7.507732747646795,0.0,7.507732747646795
AARG,HD,0.1289796507443894,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
AARG,1HD,0.1289796507443894,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
AARG,HD1,0.1289796507443894,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
AARG,HD2,0.1289796507443894,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
AARG,2HD,0.1289796507443894,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
AARG,HD3,0.1289796507443894,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
AARG,3HD,0.1289796507443894,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
AARG,NE,-0.4283344346562036,7.4183428103894675,0.0,0.0,7.4183428103894675,0.0,7.4183428103894675
AARG,HE,0.36287410411775894,1.1308319501325468,0.0,0.0,1.1308319501325468,0.0,1.1308319501325468
AARG,CZ,0.515838479822648,8.25843646361889,0.0,0.0,8.25843646361889,0.0,8.25843646361889
AARG,NH,-0.6933841584970519,6.36285678033744,0.0,0.0,6.36285678033744,0.0,6.36285678033744
AARG,NH1,-0.6933841584970519,6.36285678033744,0.0,0.0,6.36285678033744,0.0,6.36285678033744
AARG,NH2,-0.6933841584970519,6.36285678033744,0.0,0.0,6.36285678033744,0.0,6.36285678033744
AARG,HH,0.40517471605871647,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
AARG,HH11,0.40517471605871647,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
AARG,1HH1,0.40517471605871647,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
AARG,HH12,0.40517471605871647,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
AARG,2HH1,0.40517471605871647,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
AARG,HH21,0.40517471605871647,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
AARG,1HH2,0.40517471605871647,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
AARG,HH22,0.40517471605871647,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
AARG,2HH2,0.40517471605871647,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
AASN,CY,0.4829633215143143,7.600840700013937,0.0,0.0,7.600840700013937,0.0,7.600840700013937
AASN,OY,-0.4446697088948888,5.315457391432808,0.0,0.0,5.315457391432808,0.0,5.315457391432808
AASN,CAY,-0.48020524625519606,7.8921106524299525,0.0,0.0,7.8921106524299525,0.0,7.8921106524299525
AASN,CH3,-0.48020524625519606,7.8921106524299525,0.0,0.0,7.8921106524299525,0.0,7.8921106524299525
AASN,HY,0.14571908970162348,1.5708122727016653,0.0,0.0,1.5708122727016653,0.0,1.5708122727016653
AASN,HY1,0.14571908970162348,1.5708122727016653,0.0,0.0,1.5708122727016653,0.0,1.5708122727016653
AASN,HY2,0.14571908970162348,1.5708122727016653,0.0,0.0,1.5708122727016653,0.0,1.5708122727016653
AASN,HY3,0.14571908970162348,1.5708122727016653,0.0,0.0,1.5708122727016653,0.0,1.5708122727016653
AASN,HH31,0.14571908970162348,1.5708122727016653,0.0,0.0,1.5708122727016653,0.0,1.5708122727016653
AASN,HH32,0.14571908970162348,1.5708122727016653,0.0,0.0,1.5708122727016653,0.0,1.5708122727016653
AASN,HH33,0.14571908970162348,1.5708122727016653,0.0,0.0,1.5708122727016653,0.0,1.5708122727016653
AASN,N,-0.3602744012159378,7.351315503814133,0.0,0.0,7.351315503814133,0.0,7.351315503814133
AASN,HN,0.25499929414670364,1.3074840472934133,0.0,0.0,1.3074840472934133,0.0,1.3074840472934133
AASN,H,0.25499929414670364,1.3074840472934133,0.0,0.0,1.3074840472934133,0.0,1.3074840472934133
AASN,CA,-0.03653073532698313,8.311645222564975,0.0,0.0,8.311645222564975,0.0,8.311645222564975
AASN,HA,0.11700682048973354,1.5802233652151134,0.0,0.0,1.5802233652151134,0.0,1.5802233652151134
AASN,CB,-0.32809610355564245,8.072364205046812,0.0,0.0,8.072364205046812,0.0,8.072364205046812
AASN,C,0.5227978471731008,8.082581756550708,0.0,0.0,8.082581756550708,0.0,8.082581756550708
AASN,HB,0.1349857052248105,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
AASN,HB1,0.1349857052248105,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
AASN,1HB,0.1349857052248105,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
AASN,HB2,0.1349857052248105,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
AASN,2HB,0.1349857052248105,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
AASN,HB3,0.1349857052248105,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
AASN,3HB,0.1349857052248105,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
AASN,CG,0.44412598223929695,8.044258162171264,0.0,0.0,8.044258162171264,0.0,8.044258162171264
AASN,O,-0.4746401150320823,5.622019049753655,0.0,0.0,5.622019049753655,0.0,5.622019049753655
AASN,OD,-0.4187688753245856,5.559956487100541,0.0,0.0,5.559956487100541,0.0,5.559956487100541
AASN,OD1,-0.4187688753245856,5.559956487100541,0.0,0.0,5.559956487100541,0.0,5.559956487100541
AASN,ND,-0.5604304646277318,7.577177478752255,0.0,0.0,7.577177478752255,0.0,7.577177478752255
AASN,ND2,-0.5604304646277318,7.577177478752255,0.0,0.0,7.577177478752255,0.0,7.577177478752255
AASN,HD,0.28729685255770365,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
AASN,HD21,0.28729685255770365,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
AASN,1HD2,0.28729685255770365,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
AASN,HN21,0.28729685255770365,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
AASN,HD22,0.28729685255770365,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
AASN,2HD2,0.28729685255770365,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
AASN,HN22,0.28729685255770365,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
AASP,CY,0.8256494536539412,7.867227464084972,0.0,0.0,7.867227464084972,0.0,7.867227464084972
AASP,OY,-0.6056333711993059,5.519687962546867,0.0,0.0,5.519687962546867,0.0,5.519687962546867
AASP,CAY,-0.6287073841733629,8.218611043180273,0.0,0.0,8.218611043180273,0.0,8.218611043180273
AASP,CH3,-0.6287073841733629,8.218611043180273,0.0,0.0,8.218611043180273,0.0,8.218611043180273
AASP,HY,0.1520662747946468,1.5130766139105725,0.0,0.0,1.5130766139105725,0.0,1.5130766139105725
AASP,HY1,0.1520662747946468,1.5130766139105725,0.0,0.0,1.5130766139105725,0.0,1.5130766139105725
AASP,HY2,0.1520662747946468,1.5130766139105725,0.0,0.0,1.5130766139105725,0.0,1.5130766139105725
AASP,HY3,0.1520662747946468,1.5130766139105725,0.0,0.0,1.5130766139105725,0.0,1.5130766139105725
AASP,HH31,0.1520662747946468,1.5130766139105725,0.0,0.0,1.5130766139105725,0.0,1.5130766139105725
AASP,HH32,0.1520662747946468,1.5130766139105725,0.0,0.0,1.5130766139105725,0.0,1.5130766139105725
AASP,HH33,0.1520662747946468,1.5130766139105725,0.0,0.0,1.5130766139105725,0.0,1.5130766139105725
AASP,N,-0.6873385480043326,7.43190644779396,0.0,0.0,7.43190644779396,0.0,7.43190644779396
AASP,HN,0.33975673654912897,1.101900335934383,0.0,0.0,1.101900335934383,0.0,1.101900335934383
AASP,H,0.33975673654912897,1.101900335934383,0.0,0.0,1.101900335934383,0.0,1.101900335934383
AASP,CA,0.17966120326248902,9.144842274581682,0.0,0.0,9.144842274581682,0.0,9.144842274581682
AASP,HA,0.0712908015101721,1.5021581579074204,0.0,0.0,1.5021581579074204,0.0,1.5021581579074204
AASP,CB,-0.2126410417581739,10.130208299404728,0.0,0.0,10.130208299404728,0.0,10.130208299404728
AASP,C,0.4223738468099584,8.520574071318348,0.0,0.0,8.520574071318348,0.0,8.520574071318348
AASP,HB,0.014830481891236869,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
AASP,HB1,0.014830481891236869,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
AASP,1HB,0.014830481891236869,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
AASP,HB2,0.014830481891236869,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
AASP,2HB,0.014830481891236869,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
AASP,HB3,0.014830481891236869,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
AASP,3HB,0.014830481891236869,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
AASP,CG,0.8521158225328623,10.279958179165893,0.0,0.0,10.279958179165893,0.0,10.279958179165893
AASP,O,-0.4892356418825573,5.746860612300507,0.0,0.0,5.746860612300507,0.0,5.746860612300507
AASP,OD,-0.7765758327336167,6.803954176992723,0.0,0.0,6.803954176992723,0.0,6.803954176992723
AASP,OD1,-0.7765758327336167,6.803954176992723,0.0,0.0,6.803954176992723,0.0,6.803954176992723
AASP,OD2,-0.7765758327336167,6.803954176992723,0.0,0.0,6.803954176992723,0.0,6.803954176992723
ACYS,CY,0.725727321222865,7.603817872371409,0.0,0.0,7.603817872371409,0.0,7.603817872371409
ACYS,OY,-0.5465209989631633,5.295740056746807,0.0,0.0,5.295740056746807,0.0,5.295740056746807
ACYS,CAY,-0.5379589124892606,7.845115058739521,0.0,0.0,7.845115058739521,0.0,7.845115058739521
ACYS,CH3,-0.5379589124892606,7.845115058739521,0.0,0.0,7.845115058739521,0.0,7.845115058739521
ACYS,HY,0.1485777010141187,1.4416968903654512,0.0,0.0,1.4416968903654512,0.0,1.4416968903654512
ACYS,HY1,0.1485777010141187,1.4416968903654512,0.0,0.0,1.4416968903654512,0.0,1.4416968903654512
ACYS,HY2,0.1485777010141187,1.4416968903654512,0.0,0.0,1.4416968903654512,0.0,1.4416968903654512
ACYS,HY3,0.1485777010141187,1.4416968903654512,0.0,0.0,1.4416968903654512,0.0,1.4416968903654512
ACYS,HH31,0.1485777010141187,1.4416968903654512,0.0,0.0,1.4416968903654512,0.0,1.4416968903654512
ACYS,HH32,0.1485777010141187,1.4416968903654512,0.0,0.0,1.4416968903654512,0.0,1.4416968903654512
ACYS,HH33,0.1485777010141187,1.4416968903654512,0.0,0.0,1.4416968903654512,0.0,1.4416968903654512
ACYS,N,-0.5203393361365378,7.487183957234861,0.0,0.0,7.487183957234861,0.0,7.487183957234861
ACYS,HN,0.29900202168225104,1.2042756027148702,0.0,0.0,1.2042756027148702,0.0,1.2042756027148702
ACYS,H,0.29900202168225104,1.2042756027148702,0.0,0.0,1.2042756027148702,0.0,1.2042756027148702
ACYS,CA,-0.022673132045216322,8.845205273788256,0.0,0.0,8.845205273788256,0.0,8.845205273788256
ACYS,HA,0.15738450452279937,1.615355652444607,0.0,0.0,1.615355652444607,0.0,1.615355652444607
ACYS,CB,-0.3271522773230988,9.149141062604961,0.0,0.0,9.149141062604961,0.0,9.149141062604961
ACYS,C,0.5708522197303437,8.165873179330676,0.0,0.0,8.165873179330676,0.0,8.165873179330676
ACYS,HB,0.1533926626318182,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
ACYS,HB1,0.1533926626318182,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
ACYS,1HB,0.1533926626318182,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
ACYS,HB2,0.1533926626318182,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
ACYS,2HB,0.1533926626318182,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
ACYS,HB3,0.1533926626318182,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
ACYS,3HB,0.1533926626318182,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
ACYS,SG,-0.23548092176809138,18.340193931247118,0.0,0.0,18.340193931247118,0.0,18.340193931247118
ACYS,S,-0.23548092176809138,18.340193931247118,0.0,0.0,18.340193931247118,0.0,18.340193931247118
ACYS,O,-0.48967717449056114,5.5721617644427734,0.0,0.0,5.5721617644427734,0.0,5.5721617644427734
ACYS,HG,0.1743182577516778,2.778835396090881,0.0,0.0,2.778835396090881,0.0,2.778835396090881
ACYS,HG1,0.1743182577516778,2.778835396090881,0.0,0.0,2.778835396090881,0.0,2.778835396090881
AGLN,CY,0.6960408083065889,7.723114008767878,0.0,0.0,7.723114008767878,0.0,7.723114008767878
AGLN,OY,-0.5302819111258599,5.414562744457908,0.0,0.0,5.414562744457908,0.0,5.414562744457908
AGLN,CAY,-0.5471781602146917,7.902886761814304,0.0,0.0,7.902886761814304,0.0,7.902886761814304
AGLN,CH3,-0.5471781602146917,7.902886761814304,0.0,0.0,7.902886761814304,0.0,7.902886761814304
AGLN,HY,0.15168677278994283,1.5197862534146565,0.0,0.0,1.5197862534146565,0.0,1.5197862534146565
AGLN,HY1,0.15168677278994283,1.5197862534146565,0.0,0.0,1.5197862534146565,0.0,1.5197862534146565
AGLN,HY2,0.15168677278994283,1.5197862534146565,0.0,0.0,1.5197862534146565,0.0,1.5197862534146565
AGLN,HY3,0.15168677278994283,1.5197862534146565,0.0,0.0,1.5197862534146565,0.0,1.5197862534146565
AGLN,HH31,0.15168677278994283,1.5197862534146565,0.0,0.0,1.5197862534146565,0.0,1.5197862534146565
AGLN,HH32,0.15168677278994283,1.5197862534146565,0.0,0.0,1.5197862534146565,0.0,1.5197862534146565
AGLN,HH33,0.15168677278994283,1.5197862534146565,0.0,0.0,1.5197862534146565,0.0,1.5197862534146565
AGLN,N,-0.5353074255642182,7.42592454872608,0.0,0.0,7.42592454872608,0.0,7.42592454872608
AGLN,HN,0.29397956100407396,1.2542547984613779,0.0,0.0,1.2542547984613779,0.0,1.2542547984613779
AGLN,H,0.29397956100407396,1.2542547984613779,0.0,0.0,1.2542547984613779,0.0,1.2542547984613779
AGLN,CA,-0.02966136048052062,8.379542872207088,0.0,0.0,8.379542872207088,0.0,8.379542872207088
AGLN,HA,0.12353901069075508,1.686135442208795,0.0,0.0,1.686135442208795,0.0,1.686135442208795
AGLN,CB,-0.08365536482533696,7.723719528425527,0.0,0.0,7.723719528425527,0.0,7.723719528425527
AGLN,C,0.555735317605597,8.108924578314337,0.0,0.0,8.108924578314337,0.0,8.108924578314337
AGLN,HB,0.06985588310142227,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
AGLN,HB1,0.06985588310142227,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
AGLN,1HB,0.06985588310142227,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
AGLN,HB2,0.06985588310142227,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
AGLN,2HB,0.06985588310142227,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
AGLN,HB3,0.06985588310142227,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
AGLN,3HB,0.06985588310142227,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
AGLN,CG,-0.29204452165573314,8.021300856046283,0.0,0.0,8.021300856046283,0.0,8.021300856046283
AGLN,O,-0.5042511910195291,5.607188879810153,0.0,0.0,5.607188879810153,0.0,5.607188879810153
AGLN,HG,0.0955632174222002,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
AGLN,1HG,0.0955632174222002,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
AGLN,HG1,0.0955632174222002,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
AGLN,HG2,0.0955632174222002,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
AGLN,2HG,0.0955632174222002,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
AGLN,HG3,0.0955632174222002,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
AGLN,3HG,0.0955632174222002,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
AGLN,CD,0.7682356385343827,8.145659874439641,0.0,0.0,8.145659874439641,0.0,8.145659874439641
AGLN,OE,-0.5449310876293075,5.6485037702594445,0.0,0.0,5.6485037702594445,0.0,5.6485037702594445
AGLN,OE1,-0.5449310876293075,5.6485037702594445,0.0,0.0,5.6485037702594445,0.0,5.6485037702594445
AGLN,NE,-0.976356844605457,7.665721929671552,0.0,0.0,7.665721929671552,0.0,7.665721929671552
AGLN,NE2,-0.976356844605457,7.665721929671552,0.0,0.0,7.665721929671552,0.0,7.665721929671552
AGLN,HE,0.4101195057810915,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
AGLN,HE21,0.4101195057810915,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
AGLN,1HE2,0.4101195057810915,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
AGLN,HE22,0.4101195057810915,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
AGLN,2HE2,0.4101195057810915,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
AGLU,CY,0.7453614846068604,7.94998169900033,0.0,0.0,7.94998169900033,0.0,7.94998169900033
AGLU,OY,-0.5774327343246501,5.560450241855534,0.0,0.0,5.560450241855534,0.0,5.560450241855534
AGLU,CAY,-0.5596978191151354,8.132953731348419,0.0,0.0,8.132953731348419,0.0,8.132953731348419
AGLU,CH3,-0.5596978191151354,8.132953731348419,0.0,0.0,8.132953731348419,0.0,8.132953731348419
AGLU,HY,0.14059424649334165,1.4230049523134696,0.0,0.0,1.4230049523134696,0.0,1.4230049523134696
AGLU,HY1,0.14059424649334165,1.4230049523134696,0.0,0.0,1.4230049523134696,0.0,1.4230049523134696
AGLU,HY2,0.14059424649334165,1.4230049523134696,0.0,0.0,1.4230049523134696,0.0,1.4230049523134696
AGLU,HY3,0.14059424649334165,1.4230049523134696,0.0,0.0,1.4230049523134696,0.0,1.4230049523134696
AGLU,HH31,0.14059424649334165,1.4230049523134696,0.0,0.0,1.4230049523134696,0.0,1.4230049523134696
AGLU,HH32,0.14059424649334165,1.4230049523134696,0.0,0.0,1.4230049523134696,0.0,1.4230049523134696
AGLU,HH33,0.14059424649334165,1.4230049523134696,0.0,0.0,1.4230049523134696,0.0,1.4230049523134696
AGLU,N,-0.5885714577859805,7.507705348801201,0.0,0.0,7.507705348801201,0.0,7.507705348801201
AGLU,HN,0.3065978505007009,1.104889768099429,0.0,0.0,1.104889768099429,0.0,1.104889768099429
AGLU,H,0.3065978505007009,1.104889768099429,0.0,0.0,1.104889768099429,0.0,1.104889768099429
AGLU,CA,0.03055327185883192,9.06201546773597,0.0,0.0,9.06201546773597,0.0,9.06201546773597
AGLU,HA,0.10485508561800279,1.6563109346128542,0.0,0.0,1.6563109346128542,0.0,1.6563109346128542
AGLU,CB,0.06361887867366826,8.585024033290237,0.0,0.0,8.585024033290237,0.0,8.585024033290237
AGLU,C,0.47017524332575295,8.20649754423834,0.0,0.0,8.20649754423834,0.0,8.20649754423834
AGLU,HB,-0.008853961219541106,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
AGLU,HB1,-0.008853961219541106,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
AGLU,1HB,-0.008853961219541106,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
AGLU,HB2,-0.008853961219541106,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
AGLU,2HB,-0.008853961219541106,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
AGLU,HB3,-0.008853961219541106,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
AGLU,3HB,-0.008853961219541106,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
AGLU,CG,-0.13069099216404023,10.31617131429664,0.0,0.0,10.31617131429664,0.0,10.31617131429664
AGLU,O,-0.5012386587520079,5.764610609123514,0.0,0.0,5.764610609123514,0.0,5.764610609123514
AGLU,HG,-0.010221022622651735,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
AGLU,1HG,-0.010221022622651735,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
AGLU,HG1,-0.010221022622651735,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
AGLU,HG2,-0.010221022622651735,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
AGLU,2HG,-0.010221022622651735,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
AGLU,HG3,-0.010221022622651735,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
AGLU,3HG,-0.010221022622651735,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
AGLU,CD,0.858583363562515,10.578894118207335,0.0,0.0,10.578894118207335,0.0,10.578894118207335
AGLU,OE,-0.8028731439000786,6.987992405530969,0.0,0.0,6.987992405530969,0.0,6.987992405530969
AGLU,OE1,-0.8028731439000786,6.987992405530969,0.0,0.0,6.987992405530969,0.0,6.987992405530969
AGLU,OE2,-0.8028731439000786,6.987992405530969,0.0,0.0,6.987992405530969,0.0,6.987992405530969
AGLY,CY,0.6729532057468725,7.498328725918491,0.0,0.0,7.498328725918491,0.0,7.498328725918491
AGLY,OY,-0.5138183063292552,5.33215334636995,0.0,0.0,5.33215334636995,0.0,5.33215334636995
AGLY,CAY,-0.5844515657958524,7.927860111723136,0.0,0.0,7.927860111723136,0.0,7.927860111723136
AGLY,CH3,-0.5844515657958524,7.927860111723136,0.0,0.0,7.927860111723136,0.0,7.927860111723136
AGLY,HY,0.1609287460580022,1.6225987830206536,0.0,0.0,1.6225987830206536,0.0,1.6225987830206536
AGLY,HY1,0.1609287460580022,1.6225987830206536,0.0,0.0,1.6225987830206536,0.0,1.6225987830206536
AGLY,HY2,0.1609287460580022,1.6225987830206536,0.0,0.0,1.6225987830206536,0.0,1.6225987830206536
AGLY,HY3,0.1609287460580022,1.6225987830206536,0.0,0.0,1.6225987830206536,0.0,1.6225987830206536
AGLY,HH31,0.1609287460580022,1.6225987830206536,0.0,0.0,1.6225987830206536,0.0,1.6225987830206536
AGLY,HH32,0.1609287460580022,1.6225987830206536,0.0,0.0,1.6225987830206536,0.0,1.6225987830206536
AGLY,HH33,0.1609287460580022,1.6225987830206536,0.0,0.0,1.6225987830206536,0.0,1.6225987830206536
AGLY,N,-0.4353584766312775,7.314969573887134,0.0,0.0,7.314969573887134,0.0,7.314969573887134
AGLY,HN,0.28848611290648685,1.4199732929269058,0.0,0.0,1.4199732929269058,0.0,1.4199732929269058
AGLY,H,0.28848611290648685,1.4199732929269058,0.0,0.0,1.4199732929269058,0.0,1.4199732929269058
AGLY,CA,-0.29159760399835316,7.978577814377556,0.0,0.0,7.978577814377556,0.0,7.978577814377556
AGLY,C,0.6009033719876301,7.975457565014129,0.0,0.0,7.975457565014129,0.0,7.975457565014129
AGLY,HA,0.14261795008075295,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
AGLY,HA2,0.14261795008075295,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
AGLY,1HA,0.14261795008075295,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
AGLY,HA1,0.14261795008075295,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
AGLY,HA3,0.14261795008075295,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
AGLY,2HA,0.14261795008075295,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
AGLY,O,-0.5051388762217637,5.694554131402796,0.0,0.0,5.694554131402796,0.0,5.694554131402796
AHID,CY,0.7118965398149519,7.767765081307243,0.0,0.0,7.767765081307243,0.0,7.767765081307243
AHSD,CY,0.7118965398149519,7.767765081307243,0.0,0.0,7.767765081307243,0.0,7.767765081307243
AHID,OY,-0.5319741501181471,5.25816024413577,0.0,0.0,5.25816024413577,0.0,5.25816024413577
AHSD,OY,-0.5319741501181471,5.25816024413577,0.0,0.0,5.25816024413577,0.0,5.25816024413577
AHID,CAY,-0.5367294494756104,8.06434082833653,0.0,0.0,8.06434082833653,0.0,8.06434082833653
AHSD,CAY,-0.5367294494756104,8.06434082833653,0.0,0.0,8.06434082833653,0.0,8.06434082833653
AHID,CH3,-0.5367294494756104,8.06434082833653,0.0,0.0,8.06434082833653,0.0,8.06434082833653
AHSD,CH3,-0.5367294494756104,8.06434082833653,0.0,0.0,8.06434082833653,0.0,8.06434082833653
AHID,HY,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHSD,HY,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHID,HY1,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHSD,HY1,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHID,HY2,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHSD,HY2,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHID,HY3,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHSD,HY3,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHID,HH31,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHSD,HH31,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHID,HH32,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHSD,HH32,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHID,HH33,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHSD,HH33,0.14923505051796976,1.471928923808837,0.0,0.0,1.471928923808837,0.0,1.471928923808837
AHID,N,-0.5781545463337384,7.78613451310343,0.0,0.0,7.78613451310343,0.0,7.78613451310343
AHSD,N,-0.5781545463337384,7.78613451310343,0.0,0.0,7.78613451310343,0.0,7.78613451310343
AHID,HN,0.3000714013937094,1.2974512037925365,0.0,0.0,1.2974512037925365,0.0,1.2974512037925365
AHSD,HN,0.3000714013937094,1.2974512037925365,0.0,0.0,1.2974512037925365,0.0,1.2974512037925365
AHID,H,0.3000714013937094,1.2974512037925365,0.0,0.0,1.2974512037925365,0.0,1.2974512037925365
AHSD,H,0.3000714013937094,1.2974512037925365,0.0,0.0,1.2974512037925365,0.0,1.2974512037925365
AHID,CA,0.09941747741537141,8.339312186596214,0.0,0.0,8.339312186596214,0.0,8.339312186596214
AHSD,CA,0.09941747741537141,8.339312186596214,0.0,0.0,8.339312186596214,0.0,8.339312186596214
AHID,HA,0.09367579833919565,1.5993687900206726,0.0,0.0,1.5993687900206726,0.0,1.5993687900206726
AHSD,HA,0.09367579833919565,1.5993687900206726,0.0,0.0,1.5993687900206726,0.0,1.5993687900206726
AHID,CB,-0.32028076954047463,8.245721444101152,0.0,0.0,8.245721444101152,0.0,8.245721444101152
AHSD,CB,-0.32028076954047463,8.245721444101152,0.0,0.0,8.245721444101152,0.0,8.245721444101152
AHID,C,0.5300756554990015,7.5990557904252345,0.0,0.0,7.5990557904252345,0.0,7.5990557904252345
AHSD,C,0.5300756554990015,7.5990557904252345,0.0,0.0,7.5990557904252345,0.0,7.5990557904252345
AHID,HB,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHSD,HB,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHID,HB1,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHSD,HB1,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHID,1HB,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHSD,1HB,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHID,HB2,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHSD,HB2,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHID,2HB,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHSD,2HB,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHID,HB3,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHSD,HB3,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHID,3HB,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHSD,3HB,0.11963472445869344,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
AHID,CG,0.10258893921602973,8.594070017375676,0.0,0.0,8.594070017375676,0.0,8.594070017375676
AHSD,CG,0.10258893921602973,8.594070017375676,0.0,0.0,8.594070017375676,0.0,8.594070017375676
AHID,O,-0.48798460574540214,5.230005830720671,0.0,0.0,5.230005830720671,0.0,5.230005830720671
AHSD,O,-0.48798460574540214,5.230005830720671,0.0,0.0,5.230005830720671,0.0,5.230005830720671
AHID,ND,-0.33518062896875206,6.620163519298822,0.0,0.0,6.620163519298822,0.0,6.620163519298822
AHSD,ND,-0.33518062896875206,6.620163519298822,0.0,0.0,6.620163519298822,0.0,6.620163519298822
AHID,ND1,-0.33518062896875206,6.620163519298822,0.0,0.0,6.620163519298822,0.0,6.620163519298822
AHSD,ND1,-0.33518062896875206,6.620163519298822,0.0,0.0,6.620163519298822,0.0,6.620163519298822
AHID,CD,0.07344048201723147,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
AHSD,CD,0.07344048201723147,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
AHID,CD1,0.07344048201723147,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
AHSD,CD1,0.07344048201723147,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
AHID,CD2,0.07344048201723147,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
AHSD,CD2,0.07344048201723147,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
AHID,HD1,0.31687930423518196,1.3004456192470193,0.0,0.0,1.3004456192470193,0.0,1.3004456192470193
AHSD,HD1,0.31687930423518196,1.3004456192470193,0.0,0.0,1.3004456192470193,0.0,1.3004456192470193
AHID,CE,0.15981987189577818,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
AHSD,CE,0.15981987189577818,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
AHID,CE1,0.15981987189577818,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
AHSD,CE1,0.15981987189577818,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
AHID,CE2,0.15981987189577818,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
AHSD,CE2,0.15981987189577818,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
AHID,NE,-0.5215038621220833,7.565561564554987,0.0,0.0,7.565561564554987,0.0,7.565561564554987
AHSD,NE,-0.5215038621220833,7.565561564554987,0.0,0.0,7.565561564554987,0.0,7.565561564554987
AHID,NE2,-0.5215038621220833,7.565561564554987,0.0,0.0,7.565561564554987,0.0,7.565561564554987
AHSD,NE2,-0.5215038621220833,7.565561564554987,0.0,0.0,7.565561564554987,0.0,7.565561564554987
AHID,HD2,0.11104978669165233,1.799351737786854,0.0,0.0,1.799351737786854,0.0,1.799351737786854
AHSD,HD2,0.11104978669165233,1.799351737786854,0.0,0.0,1.799351737786854,0.0,1.799351737786854
AHID,HE,0.12591815531480832,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
AHSD,HE,0.12591815531480832,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
AHID,HE1,0.12591815531480832,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
AHSD,HE1,0.12591815531480832,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
AHID,HE2,0.12591815531480832,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
AHSD,HE2,0.12591815531480832,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
AHIE,CY,0.730848837493754,7.841032992150077,0.0,0.0,7.841032992150077,0.0,7.841032992150077
AHSE,CY,0.730848837493754,7.841032992150077,0.0,0.0,7.841032992150077,0.0,7.841032992150077
AHIE,OY,-0.5448328798567665,5.343954253600939,0.0,0.0,5.343954253600939,0.0,5.343954253600939
AHSE,OY,-0.5448328798567665,5.343954253600939,0.0,0.0,5.343954253600939,0.0,5.343954253600939
AHIE,CAY,-0.5610324514171761,8.10121447745625,0.0,0.0,8.10121447745625,0.0,8.10121447745625
AHSE,CAY,-0.5610324514171761,8.10121447745625,0.0,0.0,8.10121447745625,0.0,8.10121447745625
AHIE,CH3,-0.5610324514171761,8.10121447745625,0.0,0.0,8.10121447745625,0.0,8.10121447745625
AHSE,CH3,-0.5610324514171761,8.10121447745625,0.0,0.0,8.10121447745625,0.0,8.10121447745625
AHIE,HY,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHSE,HY,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHIE,HY1,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHSE,HY1,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHIE,HY2,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHSE,HY2,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHIE,HY3,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHSE,HY3,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHIE,HH31,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHSE,HH31,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHIE,HH32,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHSE,HH32,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHIE,HH33,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHSE,HH33,0.15270735863003893,1.4713497451176998,0.0,0.0,1.4713497451176998,0.0,1.4713497451176998
AHIE,N,-0.589275049556441,7.826882002722296,0.0,0.0,7.826882002722296,0.0,7.826882002722296
AHSE,N,-0.589275049556441,7.826882002722296,0.0,0.0,7.826882002722296,0.0,7.826882002722296
AHIE,HN,0.30540806525983366,1.2806800782112366,0.0,0.0,1.2806800782112366,0.0,1.2806800782112366
AHSE,HN,0.30540806525983366,1.2806800782112366,0.0,0.0,1.2806800782112366,0.0,1.2806800782112366
AHIE,H,0.30540806525983366,1.2806800782112366,0.0,0.0,1.2806800782112366,0.0,1.2806800782112366
AHSE,H,0.30540806525983366,1.2806800782112366,0.0,0.0,1.2806800782112366,0.0,1.2806800782112366
AHIE,CA,0.09601110125039529,8.311243719508104,0.0,0.0,8.311243719508104,0.0,8.311243719508104
AHSE,CA,0.09601110125039529,8.311243719508104,0.0,0.0,8.311243719508104,0.0,8.311243719508104
AHIE,HA,0.08866562882109899,1.6071640327568533,0.0,0.0,1.6071640327568533,0.0,1.6071640327568533
AHSE,HA,0.08866562882109899,1.6071640327568533,0.0,0.0,1.6071640327568533,0.0,1.6071640327568533
AHIE,CB,-0.2602650210990948,8.202127284225172,0.0,0.0,8.202127284225172,0.0,8.202127284225172
AHSE,CB,-0.2602650210990948,8.202127284225172,0.0,0.0,8.202127284225172,0.0,8.202127284225172
AHIE,C,0.5168625761956605,7.63195570313551,0.0,0.0,7.63195570313551,0.0,7.63195570313551
AHSE,C,0.5168625761956605,7.63195570313551,0.0,0.0,7.63195570313551,0.0,7.63195570313551
AHIE,HB,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHSE,HB,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHIE,HB1,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHSE,HB1,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHIE,1HB,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHSE,1HB,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHIE,HB2,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHSE,HB2,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHIE,2HB,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHSE,2HB,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHIE,HB3,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHSE,HB3,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHIE,3HB,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHSE,3HB,0.09148155399811113,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
AHIE,CG,0.37727907225557683,8.479165130436018,0.0,0.0,8.479165130436018,0.0,8.479165130436018
AHSE,CG,0.37727907225557683,8.479165130436018,0.0,0.0,8.479165130436018,0.0,8.479165130436018
AHIE,O,-0.489165455670308,5.375584944067105,0.0,0.0,5.375584944067105,0.0,5.375584944067105
AHSE,O,-0.489165455670308,5.375584944067105,0.0,0.0,5.375584944067105,0.0,5.375584944067105
AHIE,ND,-0.47475164981189094,7.383852290943572,0.0,0.0,7.383852290943572,0.0,7.383852290943572
AHSE,ND,-0.47475164981189094,7.383852290943572,0.0,0.0,7.383852290943572,0.0,7.383852290943572
AHIE,ND1,-0.47475164981189094,7.383852290943572,0.0,0.0,7.383852290943572,0.0,7.383852290943572
AHSE,ND1,-0.47475164981189094,7.383852290943572,0.0,0.0,7.383852290943572,0.0,7.383852290943572
AHIE,CD,-0.32948218244095523,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
AHSE,CD,-0.32948218244095523,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
AHIE,CD1,-0.32948218244095523,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
AHSE,CD1,-0.32948218244095523,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
AHIE,CD2,-0.32948218244095523,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
AHSE,CD2,-0.32948218244095523,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
AHIE,CE,0.06333528823411004,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
AHSE,CE,0.06333528823411004,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
AHIE,CE1,0.06333528823411004,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
AHSE,CE1,0.06333528823411004,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
AHIE,CE2,0.06333528823411004,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
AHSE,CE2,0.06333528823411004,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
AHIE,NE,-0.20867643284783158,6.64512048891844,0.0,0.0,6.64512048891844,0.0,6.64512048891844
AHSE,NE,-0.20867643284783158,6.64512048891844,0.0,0.0,6.64512048891844,0.0,6.64512048891844
AHIE,NE2,-0.20867643284783158,6.64512048891844,0.0,0.0,6.64512048891844,0.0,6.64512048891844
AHSE,NE2,-0.20867643284783158,6.64512048891844,0.0,0.0,6.64512048891844,0.0,6.64512048891844
AHIE,HD,0.183721482368556,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
AHSE,HD,0.183721482368556,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
AHIE,HD1,0.183721482368556,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
AHSE,HD1,0.183721482368556,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
AHIE,HD2,0.183721482368556,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
AHSE,HD2,0.183721482368556,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
AHIE,HE1,0.14596610784543876,2.0396208146951516,0.0,0.0,2.0396208146951516,0.0,2.0396208146951516
AHSE,HE1,0.14596610784543876,2.0396208146951516,0.0,0.0,2.0396208146951516,0.0,2.0396208146951516
AHIE,HE2,0.30829777908970113,1.6045828242840143,0.0,0.0,1.6045828242840143,0.0,1.6045828242840143
AHSE,HE2,0.30829777908970113,1.6045828242840143,0.0,0.0,1.6045828242840143,0.0,1.6045828242840143
AHIE,HNE2,0.30829777908970113,1.6045828242840143,0.0,0.0,1.6045828242840143,0.0,1.6045828242840143
AHSE,HNE2,0.30829777908970113,1.6045828242840143,0.0,0.0,1.6045828242840143,0.0,1.6045828242840143
AHIS,CY,0.6584525390056248,7.6244274056327255,0.0,0.0,7.6244274056327255,0.0,7.6244274056327255
AHIP,CY,0.6584525390056248,7.6244274056327255,0.0,0.0,7.6244274056327255,0.0,7.6244274056327255
AHSP,CY,0.6584525390056248,7.6244274056327255,0.0,0.0,7.6244274056327255,0.0,7.6244274056327255
AHIS,OY,-0.4994818487751289,5.089040117888723,0.0,0.0,5.089040117888723,0.0,5.089040117888723
AHIP,OY,-0.4994818487751289,5.089040117888723,0.0,0.0,5.089040117888723,0.0,5.089040117888723
AHSP,OY,-0.4994818487751289,5.089040117888723,0.0,0.0,5.089040117888723,0.0,5.089040117888723
AHIS,CAY,-0.4354360879682876,7.891541864845557,0.0,0.0,7.891541864845557,0.0,7.891541864845557
AHIP,CAY,-0.4354360879682876,7.891541864845557,0.0,0.0,7.891541864845557,0.0,7.891541864845557
AHSP,CAY,-0.4354360879682876,7.891541864845557,0.0,0.0,7.891541864845557,0.0,7.891541864845557
AHIS,CH3,-0.4354360879682876,7.891541864845557,0.0,0.0,7.891541864845557,0.0,7.891541864845557
AHIP,CH3,-0.4354360879682876,7.891541864845557,0.0,0.0,7.891541864845557,0.0,7.891541864845557
AHSP,CH3,-0.4354360879682876,7.891541864845557,0.0,0.0,7.891541864845557,0.0,7.891541864845557
AHIS,HY,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIP,HY,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHSP,HY,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIS,HY1,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIP,HY1,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHSP,HY1,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIS,HY2,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIP,HY2,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHSP,HY2,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIS,HY3,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIP,HY3,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHSP,HY3,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIS,HH31,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIP,HH31,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHSP,HH31,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIS,HH32,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIP,HH32,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHSP,HH32,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIS,HH33,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIP,HH33,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHSP,HH33,0.1368433649555732,1.5156812640281128,0.0,0.0,1.5156812640281128,0.0,1.5156812640281128
AHIS,N,-0.5212954924484265,7.792628540863092,0.0,0.0,7.792628540863092,0.0,7.792628540863092
AHIP,N,-0.5212954924484265,7.792628540863092,0.0,0.0,7.792628540863092,0.0,7.792628540863092
AHSP,N,-0.5212954924484265,7.792628540863092,0.0,0.0,7.792628540863092,0.0,7.792628540863092
AHIS,HN,0.29238774431892267,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
AHIP,HN,0.29238774431892267,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
AHSP,HN,0.29238774431892267,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
AHIS,H,0.29238774431892267,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
AHIP,H,0.29238774431892267,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
AHSP,H,0.29238774431892267,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
AHIS,CA,-0.061089032669256436,8.4697690127818,0.0,0.0,8.4697690127818,0.0,8.4697690127818
AHIP,CA,-0.061089032669256436,8.4697690127818,0.0,0.0,8.4697690127818,0.0,8.4697690127818
AHSP,CA,-0.061089032669256436,8.4697690127818,0.0,0.0,8.4697690127818,0.0,8.4697690127818
AHIS,HA,0.14707151628494125,1.6476899837837482,0.0,0.0,1.6476899837837482,0.0,1.6476899837837482
AHIP,HA,0.14707151628494125,1.6476899837837482,0.0,0.0,1.6476899837837482,0.0,1.6476899837837482
AHSP,HA,0.14707151628494125,1.6476899837837482,0.0,0.0,1.6476899837837482,0.0,1.6476899837837482
AHIS,CB,-0.33824073644788033,8.119712673328182,0.0,0.0,8.119712673328182,0.0,8.119712673328182
AHIP,CB,-0.33824073644788033,8.119712673328182,0.0,0.0,8.119712673328182,0.0,8.119712673328182
AHSP,CB,-0.33824073644788033,8.119712673328182,0.0,0.0,8.119712673328182,0.0,8.119712673328182
AHIS,C,0.648758804913496,7.572261379575227,0.0,0.0,7.572261379575227,0.0,7.572261379575227
AHIP,C,0.648758804913496,7.572261379575227,0.0,0.0,7.572261379575227,0.0,7.572261379575227
AHSP,C,0.648758804913496,7.572261379575227,0.0,0.0,7.572261379575227,0.0,7.572261379575227
AHIS,HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIP,HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHSP,HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIS,HB1,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIP,HB1,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHSP,HB1,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIS,1HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIP,1HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHSP,1HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIS,HB2,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIP,HB2,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHSP,HB2,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIS,2HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIP,2HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHSP,2HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIS,HB3,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIP,HB3,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHSP,HB3,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIS,3HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIP,3HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHSP,3HB,0.1784733928877802,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
AHIS,CG,0.13321554527590973,7.968781878493257,0.0,0.0,7.968781878493257,0.0,7.968781878493257
AHIP,CG,0.13321554527590973,7.968781878493257,0.0,0.0,7.968781878493257,0.0,7.968781878493257
AHSP,CG,0.13321554527590973,7.968781878493257,0.0,0.0,7.968781878493257,0.0,7.968781878493257
AHIS,O,-0.5024178234235122,5.208918680542482,0.0,0.0,5.208918680542482,0.0,5.208918680542482
AHIP,O,-0.5024178234235122,5.208918680542482,0.0,0.0,5.208918680542482,0.0,5.208918680542482
AHSP,O,-0.5024178234235122,5.208918680542482,0.0,0.0,5.208918680542482,0.0,5.208918680542482
AHIS,ND,-0.1970848405773929,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
AHIP,ND,-0.1970848405773929,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
AHSP,ND,-0.1970848405773929,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
AHIS,ND1,-0.1970848405773929,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
AHIP,ND1,-0.1970848405773929,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
AHSP,ND1,-0.1970848405773929,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
AHIS,CD,-0.0972269452175953,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
AHIP,CD,-0.0972269452175953,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
AHSP,CD,-0.0972269452175953,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
AHIS,CD1,-0.0972269452175953,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
AHIP,CD1,-0.0972269452175953,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
AHSP,CD1,-0.0972269452175953,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
AHIS,CD2,-0.0972269452175953,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
AHIP,CD2,-0.0972269452175953,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
AHSP,CD2,-0.0972269452175953,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
AHIS,HD1,0.35641583088940554,1.118569522192769,0.0,0.0,1.118569522192769,0.0,1.118569522192769
AHIP,HD1,0.35641583088940554,1.118569522192769,0.0,0.0,1.118569522192769,0.0,1.118569522192769
AHSP,HD1,0.35641583088940554,1.118569522192769,0.0,0.0,1.118569522192769,0.0,1.118569522192769
AHIS,CE,0.01713660953530675,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
AHIP,CE,0.01713660953530675,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
AHSP,CE,0.01713660953530675,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
AHIS,CE1,0.01713660953530675,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
AHIP,CE1,0.01713660953530675,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
AHSP,CE1,0.01713660953530675,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
AHIS,CE2,0.01713660953530675,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
AHIP,CE2,0.01713660953530675,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
AHSP,CE2,0.01713660953530675,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
AHIS,NE,-0.20154530840580628,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
AHIP,NE,-0.20154530840580628,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
AHSP,NE,-0.20154530840580628,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
AHIS,NE2,-0.20154530840580628,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
AHIP,NE2,-0.20154530840580628,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
AHSP,NE2,-0.20154530840580628,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
AHIS,HD2,0.21387604164554747,1.6630184376546484,0.0,0.0,1.6630184376546484,0.0,1.6630184376546484
AHIP,HD2,0.21387604164554747,1.6630184376546484,0.0,0.0,1.6630184376546484,0.0,1.6630184376546484
AHSP,HD2,0.21387604164554747,1.6630184376546484,0.0,0.0,1.6630184376546484,0.0,1.6630184376546484
AHIS,HE1,0.2345051459055439,1.835959118559748,0.0,0.0,1.835959118559748,0.0,1.835959118559748
AHIP,HE1,0.2345051459055439,1.835959118559748,0.0,0.0,1.835959118559748,0.0,1.835959118559748
AHSP,HE1,0.2345051459055439,1.835959118559748,0.0,0.0,1.835959118559748,0.0,1.835959118559748
AHIS,HE2,0.3845214575163083,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
AHIP,HE2,0.3845214575163083,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
AHSP,HE2,0.3845214575163083,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
AHIS,HNE2,0.3845214575163083,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
AHIP,HNE2,0.3845214575163083,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
AHSP,HNE2,0.3845214575163083,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
AILE,CY,0.7155681801685941,7.81929084048736,0.0,0.0,7.81929084048736,0.0,7.81929084048736
AILE,OY,-0.5466106146801851,5.422369402398896,0.0,0.0,5.422369402398896,0.0,5.422369402398896
AILE,CAY,-0.5405417445779342,7.997727721054374,0.0,0.0,7.997727721054374,0.0,7.997727721054374
AILE,CH3,-0.5405417445779342,7.997727721054374,0.0,0.0,7.997727721054374,0.0,7.997727721054374
AILE,HY,0.1496107589314577,1.6329283902339418,0.0,0.0,1.6329283902339418,0.0,1.6329283902339418
AILE,HY1,0.1496107589314577,1.6329283902339418,0.0,0.0,1.6329283902339418,0.0,1.6329283902339418
AILE,HY2,0.1496107589314577,1.6329283902339418,0.0,0.0,1.6329283902339418,0.0,1.6329283902339418
AILE,HY3,0.1496107589314577,1.6329283902339418,0.0,0.0,1.6329283902339418,0.0,1.6329283902339418
AILE,HH31,0.1496107589314577,1.6329283902339418,0.0,0.0,1.6329283902339418,0.0,1.6329283902339418
AILE,HH32,0.1496107589314577,1.6329283902339418,0.0,0.0,1.6329283902339418,0.0,1.6329283902339418
AILE,HH33,0.1496107589314577,1.6329283902339418,0.0,0.0,1.6329283902339418,0.0,1.6329283902339418
AILE,N,-0.5699934868091949,7.536723892863522,0.0,0.0,7.536723892863522,0.0,7.536723892863522
AILE,HN,0.30143575358816405,1.3112495636243988,0.0,0.0,1.3112495636243988,0.0,1.3112495636243988
AILE,H,0.30143575358816405,1.3112495636243988,0.0,0.0,1.3112495636243988,0.0,1.3112495636243988
AILE,CA,-0.1017460450296405,8.422329755783029,0.0,0.0,8.422329755783029,0.0,8.422329755783029
AILE,HA,0.1270100957964518,1.7472359722925292,0.0,0.0,1.7472359722925292,0.0,1.7472359722925292
AILE,CB,0.1568352295381233,7.839328125096789,0.0,0.0,7.839328125096789,0.0,7.839328125096789
AILE,C,0.5762826349496769,7.9430113457174,0.0,0.0,7.9430113457174,0.0,7.9430113457174
AILE,HB,0.012193002556372195,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
AILE,HB1,0.012193002556372195,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
AILE,1HB,0.012193002556372195,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
AILE,HB2,0.012193002556372195,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
AILE,2HB,0.012193002556372195,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
AILE,HB3,0.012193002556372195,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
AILE,3HB,0.012193002556372195,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
AILE,CG2,-0.45767631855329766,7.372886037395849,0.0,0.0,7.372886037395849,0.0,7.372886037395849
AILE,CG1,0.08213760398083012,7.569184422457222,0.0,0.0,7.569184422457222,0.0,7.569184422457222
AILE,O,-0.5063503033652424,5.542703003556753,0.0,0.0,5.542703003556753,0.0,5.542703003556753
AILE,HG2,0.12101122318860096,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
AILE,HG21,0.12101122318860096,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
AILE,1HG2,0.12101122318860096,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
AILE,HG21,0.12101122318860096,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
AILE,HG22,0.12101122318860096,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
AILE,2HG2,0.12101122318860096,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
AILE,HG23,0.12101122318860096,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
AILE,3HG2,0.12101122318860096,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
AILE,HG1,0.0056477167943943885,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
AILE,HG12,0.0056477167943943885,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
AILE,1HG1,0.0056477167943943885,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
AILE,HG11,0.0056477167943943885,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
AILE,HG13,0.0056477167943943885,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
AILE,2HG1,0.0056477167943943885,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
AILE,CD,-0.3232822511401868,7.7771352521453725,0.0,0.0,7.7771352521453725,0.0,7.7771352521453725
AILE,CD1,-0.3232822511401868,7.7771352521453725,0.0,0.0,7.7771352521453725,0.0,7.7771352521453725
AILE,CD2,-0.3232822511401868,7.7771352521453725,0.0,0.0,7.7771352521453725,0.0,7.7771352521453725
AILE,HD,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
AILE,HD11,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
AILE,1HD1,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
AILE,HD12,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
AILE,2HD1,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
AILE,HD13,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
AILE,3HD1,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
AILE,HD1,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
AILE,HD2,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
AILE,HD3,0.0838589612095015,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
ALEU,CY,0.7061952900677364,7.792673261935356,0.0,0.0,7.792673261935356,0.0,7.792673261935356
ALEU,OY,-0.5444211098068844,5.452314590080569,0.0,0.0,5.452314590080569,0.0,5.452314590080569
ALEU,CAY,-0.49651176669964486,8.001817605701584,0.0,0.0,8.001817605701584,0.0,8.001817605701584
ALEU,CH3,-0.49651176669964486,8.001817605701584,0.0,0.0,8.001817605701584,0.0,8.001817605701584
ALEU,HY,0.13690741032432915,1.7718538052175516,0.0,0.0,1.7718538052175516,0.0,1.7718538052175516
ALEU,HY1,0.13690741032432915,1.7718538052175516,0.0,0.0,1.7718538052175516,0.0,1.7718538052175516
ALEU,HY2,0.13690741032432915,1.7718538052175516,0.0,0.0,1.7718538052175516,0.0,1.7718538052175516
ALEU,HY3,0.13690741032432915,1.7718538052175516,0.0,0.0,1.7718538052175516,0.0,1.7718538052175516
ALEU,HH31,0.13690741032432915,1.7718538052175516,0.0,0.0,1.7718538052175516,0.0,1.7718538052175516
ALEU,HH32,0.13690741032432915,1.7718538052175516,0.0,0.0,1.7718538052175516,0.0,1.7718538052175516
ALEU,HH33,0.13690741032432915,1.7718538052175516,0.0,0.0,1.7718538052175516,0.0,1.7718538052175516
ALEU,N,-0.5555190267866589,7.507838995137413,0.0,0.0,7.507838995137413,0.0,7.507838995137413
ALEU,HN,0.30027710002500185,1.3785889669867117,0.0,0.0,1.3785889669867117,0.0,1.3785889669867117
ALEU,H,0.30027710002500185,1.3785889669867117,0.0,0.0,1.3785889669867117,0.0,1.3785889669867117
ALEU,CA,-0.03094846264192083,8.476534653722146,0.0,0.0,8.476534653722146,0.0,8.476534653722146
ALEU,HA,0.12759130546406416,1.74784591369081,0.0,0.0,1.74784591369081,0.0,1.74784591369081
ALEU,CB,-0.2550969035858063,7.96412999890499,0.0,0.0,7.96412999890499,0.0,7.96412999890499
ALEU,C,0.5631130979104296,8.216895160792308,0.0,0.0,8.216895160792308,0.0,8.216895160792308
ALEU,HB,0.07402426545976488,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
ALEU,HB1,0.07402426545976488,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
ALEU,1HB,0.07402426545976488,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
ALEU,HB2,0.07402426545976488,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
ALEU,2HB,0.07402426545976488,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
ALEU,HB3,0.07402426545976488,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
ALEU,3HB,0.07402426545976488,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
ALEU,CG,0.4637022046980107,7.588116658482159,0.0,0.0,7.588116658482159,0.0,7.588116658482159
ALEU,O,-0.5095710614484998,5.67145006903952,0.0,0.0,5.67145006903952,0.0,5.67145006903952
ALEU,HG,-0.04848984094937277,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
ALEU,1HG,-0.04848984094937277,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
ALEU,HG1,-0.04848984094937277,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
ALEU,HG2,-0.04848984094937277,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
ALEU,2HG,-0.04848984094937277,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
ALEU,HG3,-0.04848984094937277,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
ALEU,3HG,-0.04848984094937277,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
ALEU,CD,-0.4711368187691928,7.637340739705709,0.0,0.0,7.637340739705709,0.0,7.637340739705709
ALEU,CD1,-0.4711368187691928,7.637340739705709,0.0,0.0,7.637340739705709,0.0,7.637340739705709
ALEU,CD2,-0.4711368187691928,7.637340739705709,0.0,0.0,7.637340739705709,0.0,7.637340739705709
ALEU,HD,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,HD11,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,1HD1,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,HD12,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,2HD1,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,HD13,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,3HD1,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,HD21,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,1HD2,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,HD22,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,2HD2,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,HD23,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALEU,3HD2,0.1105303415665689,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
ALYS,CY,0.6677489792011444,7.657767149584094,0.0,0.0,7.657767149584094,0.0,7.657767149584094
ALYS,OY,-0.506341852263188,5.332818370747027,0.0,0.0,5.332818370747027,0.0,5.332818370747027
ALYS,CAY,-0.500351630266906,7.7957128415737476,0.0,0.0,7.7957128415737476,0.0,7.7957128415737476
ALYS,CH3,-0.500351630266906,7.7957128415737476,0.0,0.0,7.7957128415737476,0.0,7.7957128415737476
ALYS,HY,0.14862014166522458,1.5640329424112582,0.0,0.0,1.5640329424112582,0.0,1.5640329424112582
ALYS,HY1,0.14862014166522458,1.5640329424112582,0.0,0.0,1.5640329424112582,0.0,1.5640329424112582
ALYS,HY2,0.14862014166522458,1.5640329424112582,0.0,0.0,1.5640329424112582,0.0,1.5640329424112582
ALYS,HY3,0.14862014166522458,1.5640329424112582,0.0,0.0,1.5640329424112582,0.0,1.5640329424112582
ALYS,HH31,0.14862014166522458,1.5640329424112582,0.0,0.0,1.5640329424112582,0.0,1.5640329424112582
ALYS,HH32,0.14862014166522458,1.5640329424112582,0.0,0.0,1.5640329424112582,0.0,1.5640329424112582
ALYS,HH33,0.14862014166522458,1.5640329424112582,0.0,0.0,1.5640329424112582,0.0,1.5640329424112582
ALYS,N,-0.5217780009499797,7.475050725597989,0.0,0.0,7.475050725597989,0.0,7.475050725597989
ALYS,HN,0.2916044369564649,1.2998762284846486,0.0,0.0,1.2998762284846486,0.0,1.2998762284846486
ALYS,H,0.2916044369564649,1.2998762284846486,0.0,0.0,1.2998762284846486,0.0,1.2998762284846486
ALYS,CA,-0.047087042715855947,8.500117211695654,0.0,0.0,8.500117211695654,0.0,8.500117211695654
ALYS,HA,0.12609430959903029,1.6415523810643065,0.0,0.0,1.6415523810643065,0.0,1.6415523810643065
ALYS,CB,-0.23362065984349395,8.036199765356914,0.0,0.0,8.036199765356914,0.0,8.036199765356914
ALYS,C,0.6118684090145564,8.220554209651818,0.0,0.0,8.220554209651818,0.0,8.220554209651818
ALYS,HB,0.10775106636838236,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
ALYS,HB1,0.10775106636838236,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
ALYS,1HB,0.10775106636838236,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
ALYS,HB2,0.10775106636838236,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
ALYS,2HB,0.10775106636838236,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
ALYS,HB3,0.10775106636838236,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
ALYS,3HB,0.10775106636838236,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
ALYS,CG,-0.05004522284374221,7.890720986076869,0.0,0.0,7.890720986076869,0.0,7.890720986076869
ALYS,O,-0.5090961947313385,5.575739835857293,0.0,0.0,5.575739835857293,0.0,5.575739835857293
ALYS,HG,0.06561318888334178,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
ALYS,1HG,0.06561318888334178,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
ALYS,HG1,0.06561318888334178,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
ALYS,HG2,0.06561318888334178,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
ALYS,2HG,0.06561318888334178,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
ALYS,HG3,0.06561318888334178,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
ALYS,3HG,0.06561318888334178,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
ALYS,CD,-0.19496771818481198,7.764731100956517,0.0,0.0,7.764731100956517,0.0,7.764731100956517
ALYS,HD,0.1156706955230378,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
ALYS,1HD,0.1156706955230378,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
ALYS,HD1,0.1156706955230378,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
ALYS,HD2,0.1156706955230378,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
ALYS,2HD,0.1156706955230378,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
ALYS,HD3,0.1156706955230378,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
ALYS,3HD,0.1156706955230378,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
ALYS,CE,-0.03178749657100668,7.356869563821167,0.0,0.0,7.356869563821167,0.0,7.356869563821167
ALYS,HE,0.141802711568072,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
ALYS,HE2,0.141802711568072,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
ALYS,1HE,0.141802711568072,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
ALYS,HE1,0.141802711568072,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
ALYS,HE3,0.141802711568072,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
ALYS,2HE,0.141802711568072,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
ALYS,NZ,-0.5195004088401511,5.394601574405813,0.0,0.0,5.394601574405813,0.0,5.394601574405813
ALYS,HZ,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
ALYS,HZ1,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
ALYS,1HZ,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
ALYS,HNZ1,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
ALYS,HZ2,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
ALYS,2HZ,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
ALYS,HNZ2,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
ALYS,HZ3,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
ALYS,3HZ,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
ALYS,HNZ3,0.36990811425264547,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
AMET,CY,0.6964669923985514,7.740126843783658,0.0,0.0,7.740126843783658,0.0,7.740126843783658
AMET,OY,-0.534797516054238,5.3850085561487955,0.0,0.0,5.3850085561487955,0.0,5.3850085561487955
AMET,CAY,-0.5166223487370677,7.904786468492621,0.0,0.0,7.904786468492621,0.0,7.904786468492621
AMET,CH3,-0.5166223487370677,7.904786468492621,0.0,0.0,7.904786468492621,0.0,7.904786468492621
AMET,HY,0.14348426189571417,1.4664441229199066,0.0,0.0,1.4664441229199066,0.0,1.4664441229199066
AMET,HY1,0.14348426189571417,1.4664441229199066,0.0,0.0,1.4664441229199066,0.0,1.4664441229199066
AMET,HY2,0.14348426189571417,1.4664441229199066,0.0,0.0,1.4664441229199066,0.0,1.4664441229199066
AMET,HY3,0.14348426189571417,1.4664441229199066,0.0,0.0,1.4664441229199066,0.0,1.4664441229199066
AMET,HH31,0.14348426189571417,1.4664441229199066,0.0,0.0,1.4664441229199066,0.0,1.4664441229199066
AMET,HH32,0.14348426189571417,1.4664441229199066,0.0,0.0,1.4664441229199066,0.0,1.4664441229199066
AMET,HH33,0.14348426189571417,1.4664441229199066,0.0,0.0,1.4664441229199066,0.0,1.4664441229199066
AMET,N,-0.5661648032810656,7.43904668640771,0.0,0.0,7.43904668640771,0.0,7.43904668640771
AMET,HN,0.29675911635483593,1.2077221683798571,0.0,0.0,1.2077221683798571,0.0,1.2077221683798571
AMET,H,0.29675911635483593,1.2077221683798571,0.0,0.0,1.2077221683798571,0.0,1.2077221683798571
AMET,CA,0.047679244555267244,8.618466013360003,0.0,0.0,8.618466013360003,0.0,8.618466013360003
AMET,HA,0.09459661498568574,1.6310614939163948,0.0,0.0,1.6310614939163948,0.0,1.6310614939163948
AMET,CB,0.016860156979689945,8.370315549349602,0.0,0.0,8.370315549349602,0.0,8.370315549349602
AMET,C,0.5312456158085656,8.163172763946456,0.0,0.0,8.163172763946456,0.0,8.163172763946456
AMET,HB,0.033018442134802956,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
AMET,HB1,0.033018442134802956,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
AMET,1HB,0.033018442134802956,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
AMET,HB2,0.033018442134802956,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
AMET,2HB,0.033018442134802956,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
AMET,HB3,0.033018442134802956,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
AMET,3HB,0.033018442134802956,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
AMET,CG,-0.2552464409194075,9.286020158034002,0.0,0.0,9.286020158034002,0.0,9.286020158034002
AMET,O,-0.5011012501358991,5.550409528803714,0.0,0.0,5.550409528803714,0.0,5.550409528803714
AMET,HG,0.13181466043665407,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
AMET,1HG,0.13181466043665407,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
AMET,HG1,0.13181466043665407,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
AMET,HG2,0.13181466043665407,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
AMET,2HG,0.13181466043665407,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
AMET,HG3,0.13181466043665407,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
AMET,3HG,0.13181466043665407,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
AMET,SD,-0.11718105071666374,18.794523012348396,0.0,0.0,18.794523012348396,0.0,18.794523012348396
AMET,CE,-0.5229418640973513,8.672760372570838,0.0,0.0,8.672760372570838,0.0,8.672760372570838
AMET,HE,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
AMET,HE1,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
AMET,1HE,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
AMET,HE1,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
AMET,HE2,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
AMET,2HE,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
AMET,HE2,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
AMET,HE3,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
AMET,3HE,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
AMET,HE3,0.1901095140096802,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
APHE,CY,0.7323189520669411,7.882726378766789,0.0,0.0,7.882726378766789,0.0,7.882726378766789
APHE,OY,-0.5437945109585774,5.320232846531366,0.0,0.0,5.320232846531366,0.0,5.320232846531366
APHE,CAY,-0.5526523016369326,8.1583706904517,0.0,0.0,8.1583706904517,0.0,8.1583706904517
APHE,CH3,-0.5526523016369326,8.1583706904517,0.0,0.0,8.1583706904517,0.0,8.1583706904517
APHE,HY,0.15157765199632955,1.5601334976107553,0.0,0.0,1.5601334976107553,0.0,1.5601334976107553
APHE,HY1,0.15157765199632955,1.5601334976107553,0.0,0.0,1.5601334976107553,0.0,1.5601334976107553
APHE,HY2,0.15157765199632955,1.5601334976107553,0.0,0.0,1.5601334976107553,0.0,1.5601334976107553
APHE,HY3,0.15157765199632955,1.5601334976107553,0.0,0.0,1.5601334976107553,0.0,1.5601334976107553
APHE,HH31,0.15157765199632955,1.5601334976107553,0.0,0.0,1.5601334976107553,0.0,1.5601334976107553
APHE,HH32,0.15157765199632955,1.5601334976107553,0.0,0.0,1.5601334976107553,0.0,1.5601334976107553
APHE,HH33,0.15157765199632955,1.5601334976107553,0.0,0.0,1.5601334976107553,0.0,1.5601334976107553
APHE,N,-0.6057254605923904,7.901162510987935,0.0,0.0,7.901162510987935,0.0,7.901162510987935
APHE,HN,0.3130206871911311,1.3181997100950433,0.0,0.0,1.3181997100950433,0.0,1.3181997100950433
APHE,H,0.3130206871911311,1.3181997100950433,0.0,0.0,1.3181997100950433,0.0,1.3181997100950433
APHE,CA,0.09898543766228461,8.359333984120248,0.0,0.0,8.359333984120248,0.0,8.359333984120248
APHE,HA,0.09837203902260627,1.6117720276955534,0.0,0.0,1.6117720276955534,0.0,1.6117720276955534
APHE,CB,-0.30213453939185814,8.411188484727395,0.0,0.0,8.411188484727395,0.0,8.411188484727395
APHE,C,0.5233871582055448,7.573259096429438,0.0,0.0,7.573259096429438,0.0,7.573259096429438
APHE,HB,0.10163603474826306,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
APHE,HB1,0.10163603474826306,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
APHE,1HB,0.10163603474826306,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
APHE,HB2,0.10163603474826306,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
APHE,2HB,0.10163603474826306,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
APHE,HB3,0.10163603474826306,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
APHE,3HB,0.10163603474826306,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
APHE,CG,0.1838735115781564,8.99928117770148,0.0,0.0,8.99928117770148,0.0,8.99928117770148
APHE,O,-0.48641611649333283,5.229977218781539,0.0,0.0,5.229977218781539,0.0,5.229977218781539
APHE,CD,-0.1788339023640148,8.750186174103158,0.0,0.0,8.750186174103158,0.0,8.750186174103158
APHE,CD1,-0.1788339023640148,8.750186174103158,0.0,0.0,8.750186174103158,0.0,8.750186174103158
APHE,CD2,-0.1788339023640148,8.750186174103158,0.0,0.0,8.750186174103158,0.0,8.750186174103158
APHE,HD,0.13428785504598192,1.601686587720048,0.0,0.0,1.601686587720048,0.0,1.601686587720048
APHE,HD1,0.13428785504598192,1.601686587720048,0.0,0.0,1.601686587720048,0.0,1.601686587720048
APHE,HD2,0.13428785504598192,1.601686587720048,0.0,0.0,1.601686587720048,0.0,1.601686587720048
APHE,CE,-0.15560012196171866,8.869010645383634,0.0,0.0,8.869010645383634,0.0,8.869010645383634
APHE,CE1,-0.15560012196171866,8.869010645383634,0.0,0.0,8.869010645383634,0.0,8.869010645383634
APHE,CE2,-0.15560012196171866,8.869010645383634,0.0,0.0,8.869010645383634,0.0,8.869010645383634
APHE,HE,0.13771014013999125,1.9281835953720057,0.0,0.0,1.9281835953720057,0.0,1.9281835953720057
APHE,HE1,0.13771014013999125,1.9281835953720057,0.0,0.0,1.9281835953720057,0.0,1.9281835953720057
APHE,HE2,0.13771014013999125,1.9281835953720057,0.0,0.0,1.9281835953720057,0.0,1.9281835953720057
APHE,CZ,-0.12286769035554813,8.91201343237506,0.0,0.0,8.91201343237506,0.0,8.91201343237506
APHE,HZ,0.13049986649598105,2.2217314991501995,0.0,0.0,2.2217314991501995,0.0,2.2217314991501995
APRO,CY,0.5872921034200483,7.972641233821583,0.0,0.0,7.972641233821583,0.0,7.972641233821583
APRO,OY,-0.5397939514278529,5.683189734098403,0.0,0.0,5.683189734098403,0.0,5.683189734098403
APRO,CAY,-0.5154225225433127,7.717722942621038,0.0,0.0,7.717722942621038,0.0,7.717722942621038
APRO,CH3,-0.5154225225433127,7.717722942621038,0.0,0.0,7.717722942621038,0.0,7.717722942621038
APRO,HY,0.14687751775684652,1.6134782463599842,0.0,0.0,1.6134782463599842,0.0,1.6134782463599842
APRO,HY1,0.14687751775684652,1.6134782463599842,0.0,0.0,1.6134782463599842,0.0,1.6134782463599842
APRO,HY2,0.14687751775684652,1.6134782463599842,0.0,0.0,1.6134782463599842,0.0,1.6134782463599842
APRO,HY3,0.14687751775684652,1.6134782463599842,0.0,0.0,1.6134782463599842,0.0,1.6134782463599842
APRO,HH31,0.14687751775684652,1.6134782463599842,0.0,0.0,1.6134782463599842,0.0,1.6134782463599842
APRO,HH32,0.14687751775684652,1.6134782463599842,0.0,0.0,1.6134782463599842,0.0,1.6134782463599842
APRO,HH33,0.14687751775684652,1.6134782463599842,0.0,0.0,1.6134782463599842,0.0,1.6134782463599842
APRO,N,-0.13714602113818694,7.797054066477687,0.0,0.0,7.797054066477687,0.0,7.797054066477687
APRO,CD,-0.0886601839179277,6.795529885069637,0.0,0.0,6.795529885069637,0.0,6.795529885069637
APRO,CA,-0.04631327195186213,7.589005454771879,0.0,0.0,7.589005454771879,0.0,7.589005454771879
APRO,HD,0.06331265802648442,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
APRO,HD2,0.06331265802648442,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
APRO,1HD,0.06331265802648442,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
APRO,HD2,0.06331265802648442,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
APRO,HD3,0.06331265802648442,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
APRO,2HD,0.06331265802648442,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
APRO,HD1,0.06331265802648442,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
APRO,CG,-0.025998674919319002,7.006546568497221,0.0,0.0,7.006546568497221,0.0,7.006546568497221
APRO,CB,-0.14272474102935362,7.011185380275185,0.0,0.0,7.011185380275185,0.0,7.011185380275185
APRO,HA,0.07429976404077016,1.7823165390129505,0.0,0.0,1.7823165390129505,0.0,1.7823165390129505
APRO,C,0.5275262503367633,8.129668214427543,0.0,0.0,8.129668214427543,0.0,8.129668214427543
APRO,HG,0.04944457783298,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
APRO,1HG,0.04944457783298,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
APRO,HG1,0.04944457783298,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
APRO,HG2,0.04944457783298,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
APRO,2HG,0.04944457783298,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
APRO,HG3,0.04944457783298,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
APRO,3HG,0.04944457783298,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
APRO,HB,0.06752810554903448,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
APRO,HB1,0.06752810554903448,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
APRO,1HB,0.06752810554903448,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
APRO,HB2,0.06752810554903448,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
APRO,2HB,0.06752810554903448,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
APRO,HB3,0.06752810554903448,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
APRO,3HB,0.06752810554903448,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
APRO,O,-0.49426198695730417,5.7022394708300155,0.0,0.0,5.7022394708300155,0.0,5.7022394708300155
ASER,CY,0.7218314487710021,7.602951084600772,0.0,0.0,7.602951084600772,0.0,7.602951084600772
ASER,OY,-0.5440146071306717,5.330474903553992,0.0,0.0,5.330474903553992,0.0,5.330474903553992
ASER,CAY,-0.5459021898154557,7.937515624832524,0.0,0.0,7.937515624832524,0.0,7.937515624832524
ASER,CH3,-0.5459021898154557,7.937515624832524,0.0,0.0,7.937515624832524,0.0,7.937515624832524
ASER,HY,0.14981799895515246,1.5567353186008006,0.0,0.0,1.5567353186008006,0.0,1.5567353186008006
ASER,HY1,0.14981799895515246,1.5567353186008006,0.0,0.0,1.5567353186008006,0.0,1.5567353186008006
ASER,HY2,0.14981799895515246,1.5567353186008006,0.0,0.0,1.5567353186008006,0.0,1.5567353186008006
ASER,HY3,0.14981799895515246,1.5567353186008006,0.0,0.0,1.5567353186008006,0.0,1.5567353186008006
ASER,HH31,0.14981799895515246,1.5567353186008006,0.0,0.0,1.5567353186008006,0.0,1.5567353186008006
ASER,HH32,0.14981799895515246,1.5567353186008006,0.0,0.0,1.5567353186008006,0.0,1.5567353186008006
ASER,HH33,0.14981799895515246,1.5567353186008006,0.0,0.0,1.5567353186008006,0.0,1.5567353186008006
ASER,N,-0.5310626246228838,7.4278548441323995,0.0,0.0,7.4278548441323995,0.0,7.4278548441323995
ASER,HN,0.30402887348152885,1.2607303983764127,0.0,0.0,1.2607303983764127,0.0,1.2607303983764127
ASER,H,0.30402887348152885,1.2607303983764127,0.0,0.0,1.2607303983764127,0.0,1.2607303983764127
ASER,CA,-0.07946909130019292,8.306366730654961,0.0,0.0,8.306366730654961,0.0,8.306366730654961
ASER,HA,0.13314503107608083,1.8188782903204679,0.0,0.0,1.8188782903204679,0.0,1.8188782903204679
ASER,CB,0.10544730515650806,7.312876252212511,0.0,0.0,7.312876252212511,0.0,7.312876252212511
ASER,C,0.567167419270633,8.01390129179528,0.0,0.0,8.01390129179528,0.0,8.01390129179528
ASER,HB,0.036079163390722306,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
ASER,HB1,0.036079163390722306,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
ASER,1HB,0.036079163390722306,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
ASER,HB2,0.036079163390722306,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
ASER,2HB,0.036079163390722306,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
ASER,HB3,0.036079163390722306,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
ASER,3HB,0.036079163390722306,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
ASER,OG,-0.5307941927651499,5.597531580414992,0.0,0.0,5.597531580414992,0.0,5.597531580414992
ASER,O,-0.49541379230570837,5.637518010644385,0.0,0.0,5.637518010644385,0.0,5.637518010644385
ASER,HG,0.3734240965374077,1.4688668347205502,0.0,0.0,1.4688668347205502,0.0,1.4688668347205502
ASER,HG1,0.3734240965374077,1.4688668347205502,0.0,0.0,1.4688668347205502,0.0,1.4688668347205502
ATHR,CY,0.7279065068984637,7.677187389881854,0.0,0.0,7.677187389881854,0.0,7.677187389881854
ATHR,OY,-0.550086811699664,5.33836324238883,0.0,0.0,5.33836324238883,0.0,5.33836324238883
ATHR,CAY,-0.5416245766477373,7.992561901384068,0.0,0.0,7.992561901384068,0.0,7.992561901384068
ATHR,CH3,-0.5416245766477373,7.992561901384068,0.0,0.0,7.992561901384068,0.0,7.992561901384068
ATHR,HY,0.14890572867457041,1.5746376866669716,0.0,0.0,1.5746376866669716,0.0,1.5746376866669716
ATHR,HY1,0.14890572867457041,1.5746376866669716,0.0,0.0,1.5746376866669716,0.0,1.5746376866669716
ATHR,HY2,0.14890572867457041,1.5746376866669716,0.0,0.0,1.5746376866669716,0.0,1.5746376866669716
ATHR,HY3,0.14890572867457041,1.5746376866669716,0.0,0.0,1.5746376866669716,0.0,1.5746376866669716
ATHR,HH31,0.14890572867457041,1.5746376866669716,0.0,0.0,1.5746376866669716,0.0,1.5746376866669716
ATHR,HH32,0.14890572867457041,1.5746376866669716,0.0,0.0,1.5746376866669716,0.0,1.5746376866669716
ATHR,HH33,0.14890572867457041,1.5746376866669716,0.0,0.0,1.5746376866669716,0.0,1.5746376866669716
ATHR,N,-0.5507525174809783,7.541280795915602,0.0,0.0,7.541280795915602,0.0,7.541280795915602
ATHR,HN,0.30692744519024445,1.2375095797579811,0.0,0.0,1.2375095797579811,0.0,1.2375095797579811
ATHR,H,0.30692744519024445,1.2375095797579811,0.0,0.0,1.2375095797579811,0.0,1.2375095797579811
ATHR,CA,-0.06763055467558825,8.410077280409416,0.0,0.0,8.410077280409416,0.0,8.410077280409416
ATHR,HA,0.12404891667325389,1.7895723856607515,0.0,0.0,1.7895723856607515,0.0,1.7895723856607515
ATHR,CB,0.37235116091540177,7.4421878803696595,0.0,0.0,7.4421878803696595,0.0,7.4421878803696595
ATHR,C,0.5562644054989634,7.89234434222432,0.0,0.0,7.89234434222432,0.0,7.89234434222432
ATHR,HB,-0.024275327180498806,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
ATHR,HB1,-0.024275327180498806,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
ATHR,1HB,-0.024275327180498806,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
ATHR,HB2,-0.024275327180498806,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
ATHR,2HB,-0.024275327180498806,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
ATHR,HB3,-0.024275327180498806,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
ATHR,3HB,-0.024275327180498806,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
ATHR,CG,-0.4440604109155819,7.617302736162917,0.0,0.0,7.617302736162917,0.0,7.617302736162917
ATHR,CG2,-0.4440604109155819,7.617302736162917,0.0,0.0,7.617302736162917,0.0,7.617302736162917
ATHR,OG,-0.5972645788885677,5.557847777722588,0.0,0.0,5.557847777722588,0.0,5.557847777722588
ATHR,OG1,-0.5972645788885677,5.557847777722588,0.0,0.0,5.557847777722588,0.0,5.557847777722588
ATHR,O,-0.49509474487832955,5.525600135996739,0.0,0.0,5.525600135996739,0.0,5.525600135996739
ATHR,HG2,0.11907518251139103,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
ATHR,HG21,0.11907518251139103,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
ATHR,1HG2,0.11907518251139103,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
ATHR,HG22,0.11907518251139103,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
ATHR,2HG2,0.11907518251139103,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
ATHR,HG23,0.11907518251139103,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
ATHR,3HG2,0.11907518251139103,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
ATHR,HG1,0.37934835363273434,1.4775915146787537,0.0,0.0,1.4775915146787537,0.0,1.4775915146787537
ATHR,HG1,0.37934835363273434,1.4775915146787537,0.0,0.0,1.4775915146787537,0.0,1.4775915146787537
ATHR,HOG1,0.37934835363273434,1.4775915146787537,0.0,0.0,1.4775915146787537,0.0,1.4775915146787537
ATRP,CY,0.710620090642908,7.846596808212639,0.0,0.0,7.846596808212639,0.0,7.846596808212639
ATRP,OY,-0.5408312689359159,5.271827204023302,0.0,0.0,5.271827204023302,0.0,5.271827204023302
ATRP,CAY,-0.5098157149883442,8.114187167675395,0.0,0.0,8.114187167675395,0.0,8.114187167675395
ATRP,CH3,-0.5098157149883442,8.114187167675395,0.0,0.0,8.114187167675395,0.0,8.114187167675395
ATRP,HY,0.13959386328783327,1.328727348250796,0.0,0.0,1.328727348250796,0.0,1.328727348250796
ATRP,HY1,0.13959386328783327,1.328727348250796,0.0,0.0,1.328727348250796,0.0,1.328727348250796
ATRP,HY2,0.13959386328783327,1.328727348250796,0.0,0.0,1.328727348250796,0.0,1.328727348250796
ATRP,HY3,0.13959386328783327,1.328727348250796,0.0,0.0,1.328727348250796,0.0,1.328727348250796
ATRP,HH31,0.13959386328783327,1.328727348250796,0.0,0.0,1.328727348250796,0.0,1.328727348250796
ATRP,HH32,0.13959386328783327,1.328727348250796,0.0,0.0,1.328727348250796,0.0,1.328727348250796
ATRP,HH33,0.13959386328783327,1.328727348250796,0.0,0.0,1.328727348250796,0.0,1.328727348250796
ATRP,N,-0.5707568790317713,7.85708928771035,0.0,0.0,7.85708928771035,0.0,7.85708928771035
ATRP,HN,0.3035115504398783,1.206686981548311,0.0,0.0,1.206686981548311,0.0,1.206686981548311
ATRP,H,0.3035115504398783,1.206686981548311,0.0,0.0,1.206686981548311,0.0,1.206686981548311
ATRP,CA,0.0462661303565225,8.265997104424548,0.0,0.0,8.265997104424548,0.0,8.265997104424548
ATRP,HA,0.1153912091238709,1.5151377245878366,0.0,0.0,1.5151377245878366,0.0,1.5151377245878366
ATRP,CB,-0.28836922797902953,8.262676333814516,0.0,0.0,8.262676333814516,0.0,8.262676333814516
ATRP,C,0.5277744290864776,7.298215233708281,0.0,0.0,7.298215233708281,0.0,7.298215233708281
ATRP,HB,0.11540871164277114,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
ATRP,HB1,0.11540871164277114,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
ATRP,1HB,0.11540871164277114,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
ATRP,HB2,0.11540871164277114,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
ATRP,2HB,0.11540871164277114,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
ATRP,HB3,0.11540871164277114,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
ATRP,3HB,0.11540871164277114,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
ATRP,CG,-0.0176350750756566,9.435368086795512,0.0,0.0,9.435368086795512,0.0,9.435368086795512
ATRP,O,-0.48345384251838686,5.128355232557901,0.0,0.0,5.128355232557901,0.0,5.128355232557901
ATRP,CD1,-0.19373782437733597,9.084637613519527,0.0,0.0,9.084637613519527,0.0,9.084637613519527
ATRP,CD2,0.1248455584208844,9.296390859379413,0.0,0.0,9.296390859379413,0.0,9.296390859379413
ATRP,HD,0.19102237318426374,1.9083030017460136,0.0,0.0,1.9083030017460136,0.0,1.9083030017460136
ATRP,HD1,0.19102237318426374,1.9083030017460136,0.0,0.0,1.9083030017460136,0.0,1.9083030017460136
ATRP,NE,-0.3890108397045676,7.168734220593909,0.0,0.0,7.168734220593909,0.0,7.168734220593909
ATRP,NE1,-0.3890108397045676,7.168734220593909,0.0,0.0,7.168734220593909,0.0,7.168734220593909
ATRP,CE2,0.20751700798547862,9.29942264879121,0.0,0.0,9.29942264879121,0.0,9.29942264879121
ATRP,CE3,-0.21867481793083238,9.213092566163251,0.0,0.0,9.213092566163251,0.0,9.213092566163251
ATRP,HE1,0.34862365885256674,1.4200726551017033,0.0,0.0,1.4200726551017033,0.0,1.4200726551017033
ATRP,CZ2,-0.2795642989140734,9.706311404059639,0.0,0.0,9.706311404059639,0.0,9.706311404059639
ATRP,CZ3,-0.16909130538122502,9.392474760641567,0.0,0.0,9.392474760641567,0.0,9.392474760641567
ATRP,HE3,0.14770084697202315,1.698385195326661,0.0,0.0,1.698385195326661,0.0,1.698385195326661
ATRP,HZ2,0.16117560319725716,2.061328324274598,0.0,0.0,2.061328324274598,0.0,2.061328324274598
ATRP,CH2,-0.15742255008112563,9.23567270765166,0.0,0.0,9.23567270765166,0.0,9.23567270765166
ATRP,HZ3,0.13735406313910936,2.0685265677626177,0.0,0.0,2.0685265677626177,0.0,2.0685265677626177
ATRP,HH2,0.1469621103679819,2.2158406442902385,0.0,0.0,2.2158406442902385,0.0,2.2158406442902385
ATYR,CY,0.722029353749461,7.8916929301405645,0.0,0.0,7.8916929301405645,0.0,7.8916929301405645
ATYR,OY,-0.538985538530613,5.305441314438131,0.0,0.0,5.305441314438131,0.0,5.305441314438131
ATYR,CAY,-0.5448650223003391,8.171795213287036,0.0,0.0,8.171795213287036,0.0,8.171795213287036
ATYR,CH3,-0.5448650223003391,8.171795213287036,0.0,0.0,8.171795213287036,0.0,8.171795213287036
ATYR,HY,0.14936052162778615,1.5296480295457915,0.0,0.0,1.5296480295457915,0.0,1.5296480295457915
ATYR,HY1,0.14936052162778615,1.5296480295457915,0.0,0.0,1.5296480295457915,0.0,1.5296480295457915
ATYR,HY2,0.14936052162778615,1.5296480295457915,0.0,0.0,1.5296480295457915,0.0,1.5296480295457915
ATYR,HY3,0.14936052162778615,1.5296480295457915,0.0,0.0,1.5296480295457915,0.0,1.5296480295457915
ATYR,HH31,0.14936052162778615,1.5296480295457915,0.0,0.0,1.5296480295457915,0.0,1.5296480295457915
ATYR,HH32,0.14936052162778615,1.5296480295457915,0.0,0.0,1.5296480295457915,0.0,1.5296480295457915
ATYR,HH33,0.14936052162778615,1.5296480295457915,0.0,0.0,1.5296480295457915,0.0,1.5296480295457915
ATYR,N,-0.5931983189741866,7.928695973148368,0.0,0.0,7.928695973148368,0.0,7.928695973148368
ATYR,HN,0.305243000353478,1.2934687157483744,0.0,0.0,1.2934687157483744,0.0,1.2934687157483744
ATYR,H,0.305243000353478,1.2934687157483744,0.0,0.0,1.2934687157483744,0.0,1.2934687157483744
ATYR,CA,0.08061624415754591,8.399410673852984,0.0,0.0,8.399410673852984,0.0,8.399410673852984
ATYR,HA,0.09877108994504069,1.582595843125193,0.0,0.0,1.582595843125193,0.0,1.582595843125193
ATYR,CB,-0.26518433861106033,8.515404320202478,0.0,0.0,8.515404320202478,0.0,8.515404320202478
ATYR,C,0.5273355541471584,7.561223186163966,0.0,0.0,7.561223186163966,0.0,7.561223186163966
ATYR,HB,0.09484597274538634,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
ATYR,HB1,0.09484597274538634,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
ATYR,1HB,0.09484597274538634,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
ATYR,HB2,0.09484597274538634,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
ATYR,2HB,0.09484597274538634,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
ATYR,HB3,0.09484597274538634,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
ATYR,3HB,0.09484597274538634,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
ATYR,CG,0.1528434448275929,9.196512020711815,0.0,0.0,9.196512020711815,0.0,9.196512020711815
ATYR,O,-0.4870891611373745,5.208395033587364,0.0,0.0,5.208395033587364,0.0,5.208395033587364
ATYR,CD,-0.20152204398530832,8.794895720119056,0.0,0.0,8.794895720119056,0.0,8.794895720119056
ATYR,CD1,-0.20152204398530832,8.794895720119056,0.0,0.0,8.794895720119056,0.0,8.794895720119056
ATYR,CD2,-0.20152204398530832,8.794895720119056,0.0,0.0,8.794895720119056,0.0,8.794895720119056
ATYR,HD,0.15335490555414835,1.5410582669405757,0.0,0.0,1.5410582669405757,0.0,1.5410582669405757
ATYR,HD1,0.15335490555414835,1.5410582669405757,0.0,0.0,1.5410582669405757,0.0,1.5410582669405757
ATYR,HD2,0.15335490555414835,1.5410582669405757,0.0,0.0,1.5410582669405757,0.0,1.5410582669405757
ATYR,CE,-0.2624936471624494,9.106792072124994,0.0,0.0,9.106792072124994,0.0,9.106792072124994
ATYR,CE1,-0.2624936471624494,9.106792072124994,0.0,0.0,9.106792072124994,0.0,9.106792072124994
ATYR,CE2,-0.2624936471624494,9.106792072124994,0.0,0.0,9.106792072124994,0.0,9.106792072124994
ATYR,HE,0.17233805995259543,1.8559840895646684,0.0,0.0,1.8559840895646684,0.0,1.8559840895646684
ATYR,HE1,0.17233805995259543,1.8559840895646684,0.0,0.0,1.8559840895646684,0.0,1.8559840895646684
ATYR,HE2,0.17233805995259543,1.8559840895646684,0.0,0.0,1.8559840895646684,0.0,1.8559840895646684
ATYR,CZ,0.3080818823829122,8.701881864915618,0.0,0.0,8.701881864915618,0.0,8.701881864915618
ATYR,OH,-0.46549079619706785,6.014532023305496,0.0,0.0,6.014532023305496,0.0,6.014532023305496
ATYR,HH,0.338764547095349,1.207690739483235,0.0,0.0,1.207690739483235,0.0,1.207690739483235
AVAL,CY,0.707177063796849,7.788322971026441,0.0,0.0,7.788322971026441,0.0,7.788322971026441
AVAL,OY,-0.5463983665977276,5.44400183629594,0.0,0.0,5.44400183629594,0.0,5.44400183629594
AVAL,CAY,-0.49412205082491134,8.041201038423111,0.0,0.0,8.041201038423111,0.0,8.041201038423111
AVAL,CH3,-0.49412205082491134,8.041201038423111,0.0,0.0,8.041201038423111,0.0,8.041201038423111
AVAL,HY,0.1368747515050596,1.781088865482551,0.0,0.0,1.781088865482551,0.0,1.781088865482551
AVAL,HY1,0.1368747515050596,1.781088865482551,0.0,0.0,1.781088865482551,0.0,1.781088865482551
AVAL,HY2,0.1368747515050596,1.781088865482551,0.0,0.0,1.781088865482551,0.0,1.781088865482551
AVAL,HY3,0.1368747515050596,1.781088865482551,0.0,0.0,1.781088865482551,0.0,1.781088865482551
AVAL,HH31,0.1368747515050596,1.781088865482551,0.0,0.0,1.781088865482551,0.0,1.781088865482551
AVAL,HH32,0.1368747515050596,1.781088865482551,0.0,0.0,1.781088865482551,0.0,1.781088865482551
AVAL,HH33,0.1368747515050596,1.781088865482551,0.0,0.0,1.781088865482551,0.0,1.781088865482551
AVAL,N,-0.5697812857638956,7.52480300543951,0.0,0.0,7.52480300543951,0.0,7.52480300543951
AVAL,HN,0.3059397839651562,1.3987282537100691,0.0,0.0,1.3987282537100691,0.0,1.3987282537100691
AVAL,H,0.3059397839651562,1.3987282537100691,0.0,0.0,1.3987282537100691,0.0,1.3987282537100691
AVAL,CA,-0.10433863911531342,8.380429659929318,0.0,0.0,8.380429659929318,0.0,8.380429659929318
AVAL,HA,0.12903624926041216,1.8283530759091493,0.0,0.0,1.8283530759091493,0.0,1.8283530759091493
AVAL,CB,0.3300519350346806,7.7091672690830615,0.0,0.0,7.7091672690830615,0.0,7.7091672690830615
AVAL,C,0.5613379130380699,8.01535451926458,0.0,0.0,8.01535451926458,0.0,8.01535451926458
AVAL,HB,-0.011610963857858448,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
AVAL,HB1,-0.011610963857858448,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
AVAL,1HB,-0.011610963857858448,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
AVAL,HB2,-0.011610963857858448,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
AVAL,2HB,-0.011610963857858448,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
AVAL,HB3,-0.011610963857858448,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
AVAL,3HB,-0.011610963857858448,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
AVAL,CG,-0.4533410482728169,7.574580391302333,0.0,0.0,7.574580391302333,0.0,7.574580391302333
AVAL,CG1,-0.4533410482728169,7.574580391302333,0.0,0.0,7.574580391302333,0.0,7.574580391302333
AVAL,CG2,-0.4533410482728169,7.574580391302333,0.0,0.0,7.574580391302333,0.0,7.574580391302333
AVAL,O,-0.5050790417320907,5.579443179259817,0.0,0.0,5.579443179259817,0.0,5.579443179259817
AVAL,HG,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,HG11,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,1HG1,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,HG21,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,HG12,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,2HG1,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,HG22,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,HG13,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,3HG1,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,HG23,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,HG21,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,1HG2,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,HG22,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,2HG2,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,HG23,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AVAL,3HG2,0.11564087413784739,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
AASH,CY,0.7188569435366551,7.562833074541758,0.0,0.0,7.562833074541758,0.0,7.562833074541758
AASH,OY,-0.5270477332996258,5.2975484592679045,0.0,0.0,5.2975484592679045,0.0,5.2975484592679045
AASH,CAY,-0.5708672818038827,7.874412762154681,0.0,0.0,7.874412762154681,0.0,7.874412762154681
AASH,CH3,-0.5708672818038827,7.874412762154681,0.0,0.0,7.874412762154681,0.0,7.874412762154681
AASH,HY,0.15754948320783324,1.5491680650397894,0.0,0.0,1.5491680650397894,0.0,1.5491680650397894
AASH,HY1,0.15754948320783324,1.5491680650397894,0.0,0.0,1.5491680650397894,0.0,1.5491680650397894
AASH,HY2,0.15754948320783324,1.5491680650397894,0.0,0.0,1.5491680650397894,0.0,1.5491680650397894
AASH,HY3,0.15754948320783324,1.5491680650397894,0.0,0.0,1.5491680650397894,0.0,1.5491680650397894
AASH,HH31,0.15754948320783324,1.5491680650397894,0.0,0.0,1.5491680650397894,0.0,1.5491680650397894
AASH,HH32,0.15754948320783324,1.5491680650397894,0.0,0.0,1.5491680650397894,0.0,1.5491680650397894
AASH,HH33,0.15754948320783324,1.5491680650397894,0.0,0.0,1.5491680650397894,0.0,1.5491680650397894
AASH,N,-0.5396595368223994,7.325610966803433,0.0,0.0,7.325610966803433,0.0,7.325610966803433
AASH,HN,0.3051218001452804,1.3032280186390743,0.0,0.0,1.3032280186390743,0.0,1.3032280186390743
AASH,H,0.3051218001452804,1.3032280186390743,0.0,0.0,1.3032280186390743,0.0,1.3032280186390743
AASH,CA,-0.057049159695376654,8.200879938178899,0.0,0.0,8.200879938178899,0.0,8.200879938178899
AASH,HA,0.13903140563906335,1.6284327928630524,0.0,0.0,1.6284327928630524,0.0,1.6284327928630524
AASH,CB,-0.28004114521262863,7.86402279233285,0.0,0.0,7.86402279233285,0.0,7.86402279233285
AASH,C,0.5717680699649504,8.067702597234243,0.0,0.0,8.067702597234243,0.0,8.067702597234243
AASH,HB,0.13027895307616652,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
AASH,HB1,0.13027895307616652,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
AASH,1HB,0.13027895307616652,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
AASH,HB2,0.13027895307616652,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
AASH,2HB,0.13027895307616652,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
AASH,HB3,0.13027895307616652,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
AASH,3HB,0.13027895307616652,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
AASH,CG,0.6698938482268715,7.387970443724187,0.0,0.0,7.387970443724187,0.0,7.387970443724187
AASH,O,-0.5002165466510046,5.619379485700723,0.0,0.0,5.619379485700723,0.0,5.619379485700723
AASH,OD1,-0.49779473556523035,5.267590349879825,0.0,0.0,5.267590349879825,0.0,5.267590349879825
AASH,OD2,-0.5804108444238218,5.789297469976468,0.0,0.0,5.789297469976468,0.0,5.789297469976468
AASH,HD,0.4152085601853165,1.4772915630538763,0.0,0.0,1.4772915630538763,0.0,1.4772915630538763
AASH,HD2,0.4152085601853165,1.4772915630538763,0.0,0.0,1.4772915630538763,0.0,1.4772915630538763
AASH,HD1,0.4152085601853165,1.4772915630538763,0.0,0.0,1.4772915630538763,0.0,1.4772915630538763
ACYD,CY,0.8038290552193107,8.375786458080134,0.0,0.0,8.375786458080134,0.0,8.375786458080134
ACYM,CY,0.8038290552193107,8.375786458080134,0.0,0.0,8.375786458080134,0.0,8.375786458080134
ACYD,OY,-0.6106554084392841,5.529355731906107,0.0,0.0,5.529355731906107,0.0,5.529355731906107
ACYM,OY,-0.6106554084392841,5.529355731906107,0.0,0.0,5.529355731906107,0.0,5.529355731906107
ACYD,CAY,-0.5726029946220728,8.417968859444835,0.0,0.0,8.417968859444835,0.0,8.417968859444835
ACYM,CAY,-0.5726029946220728,8.417968859444835,0.0,0.0,8.417968859444835,0.0,8.417968859444835
ACYD,CH3,-0.5726029946220728,8.417968859444835,0.0,0.0,8.417968859444835,0.0,8.417968859444835
ACYM,CH3,-0.5726029946220728,8.417968859444835,0.0,0.0,8.417968859444835,0.0,8.417968859444835
ACYD,HY,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYM,HY,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYD,HY1,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYM,HY1,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYD,HY2,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYM,HY2,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYD,HY3,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYM,HY3,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYD,HH31,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYM,HH31,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYD,HH32,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYM,HH32,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYD,HH33,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYM,HH33,0.135262509499048,1.069242635240326,0.0,0.0,1.069242635240326,0.0,1.069242635240326
ACYD,N,-0.6666745836617582,8.577744573296496,0.0,0.0,8.577744573296496,0.0,8.577744573296496
ACYM,N,-0.6666745836617582,8.577744573296496,0.0,0.0,8.577744573296496,0.0,8.577744573296496
ACYD,HN,0.3233521188697681,0.8991992610248579,0.0,0.0,0.8991992610248579,0.0,0.8991992610248579
ACYM,HN,0.3233521188697681,0.8991992610248579,0.0,0.0,0.8991992610248579,0.0,0.8991992610248579
ACYD,H,0.3233521188697681,0.8991992610248579,0.0,0.0,0.8991992610248579,0.0,0.8991992610248579
ACYM,H,0.3233521188697681,0.8991992610248579,0.0,0.0,0.8991992610248579,0.0,0.8991992610248579
ACYD,CA,0.1904942122460966,12.47152472183863,0.0,0.0,12.47152472183863,0.0,12.47152472183863
ACYM,CA,0.1904942122460966,12.47152472183863,0.0,0.0,12.47152472183863,0.0,12.47152472183863
ACYD,HA,0.05261571773888871,1.466009287114437,0.0,0.0,1.466009287114437,0.0,1.466009287114437
ACYM,HA,0.05261571773888871,1.466009287114437,0.0,0.0,1.466009287114437,0.0,1.466009287114437
ACYD,CB,-0.01704825197052147,13.59099121928293,0.0,0.0,13.59099121928293,0.0,13.59099121928293
ACYM,CB,-0.01704825197052147,13.59099121928293,0.0,0.0,13.59099121928293,0.0,13.59099121928293
ACYD,C,0.3972564822332786,8.697838564799607,0.0,0.0,8.697838564799607,0.0,8.697838564799607
ACYM,C,0.3972564822332786,8.697838564799607,0.0,0.0,8.697838564799607,0.0,8.697838564799607
ACYD,HB,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYM,HB,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYD,HB1,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYM,HB1,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYD,1HB,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYM,1HB,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYD,HB2,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYM,HB2,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYD,2HB,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYM,2HB,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYD,HB3,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYM,HB3,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYD,3HB,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYM,3HB,0.026402293014615684,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
ACYD,SG,-0.8725867138094613,31.375342487284946,0.0,0.0,31.375342487284946,0.0,31.375342487284946
ACYM,SG,-0.8725867138094613,31.375342487284946,0.0,0.0,31.375342487284946,0.0,31.375342487284946
ACYD,S,-0.8725867138094613,31.375342487284946,0.0,0.0,31.375342487284946,0.0,31.375342487284946
ACYM,S,-0.8725867138094613,31.375342487284946,0.0,0.0,31.375342487284946,0.0,31.375342487284946
ACYD,O,-0.4865717483306202,5.617514844521543,0.0,0.0,5.617514844521543,0.0,5.617514844521543
ACYM,O,-0.4865717483306202,5.617514844521543,0.0,0.0,5.617514844521543,0.0,5.617514844521543
ACYX,CY,0.6866252384860397,6.926946312340865,0.0,0.0,6.926946312340865,0.0,6.926946312340865
ACYS1,CY,0.6866252384860397,6.926946312340865,0.0,0.0,6.926946312340865,0.0,6.926946312340865
ACYS2,CY,0.6866252384860397,6.926946312340865,0.0,0.0,6.926946312340865,0.0,6.926946312340865
ACYX,OY,-0.5313155604740136,4.9473969283363575,0.0,0.0,4.9473969283363575,0.0,4.9473969283363575
ACYS1,OY,-0.5313155604740136,4.9473969283363575,0.0,0.0,4.9473969283363575,0.0,4.9473969283363575
ACYS2,OY,-0.5313155604740136,4.9473969283363575,0.0,0.0,4.9473969283363575,0.0,4.9473969283363575
ACYX,CAY,-0.5049205015427054,7.778634923548355,0.0,0.0,7.778634923548355,0.0,7.778634923548355
ACYS1,CAY,-0.5049205015427054,7.778634923548355,0.0,0.0,7.778634923548355,0.0,7.778634923548355
ACYS2,CAY,-0.5049205015427054,7.778634923548355,0.0,0.0,7.778634923548355,0.0,7.778634923548355
ACYX,CH3,-0.5049205015427054,7.778634923548355,0.0,0.0,7.778634923548355,0.0,7.778634923548355
ACYS1,CH3,-0.5049205015427054,7.778634923548355,0.0,0.0,7.778634923548355,0.0,7.778634923548355
ACYS2,CH3,-0.5049205015427054,7.778634923548355,0.0,0.0,7.778634923548355,0.0,7.778634923548355
ACYX,HY,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS1,HY,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS2,HY,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYX,HY1,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS1,HY1,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS2,HY1,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYX,HY2,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS1,HY2,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS2,HY2,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYX,HY3,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS1,HY3,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS2,HY3,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYX,HH31,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS1,HH31,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS2,HH31,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYX,HH32,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS1,HH32,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS2,HH32,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYX,HH33,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS1,HH33,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYS2,HH33,0.14326391735443972,2.4047849677268216,0.0,0.0,2.4047849677268216,0.0,2.4047849677268216
ACYX,N,-0.5238546202166874,6.006148361527839,0.0,0.0,6.006148361527839,0.0,6.006148361527839
ACYS1,N,-0.5238546202166874,6.006148361527839,0.0,0.0,6.006148361527839,0.0,6.006148361527839
ACYS2,N,-0.5238546202166874,6.006148361527839,0.0,0.0,6.006148361527839,0.0,6.006148361527839
ACYX,HN,0.29228218500672404,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
ACYS1,HN,0.29228218500672404,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
ACYS2,HN,0.29228218500672404,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
ACYX,H,0.29228218500672404,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
ACYS1,H,0.29228218500672404,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
ACYS2,H,0.29228218500672404,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
ACYX,CA,-0.011436356400411346,7.483530838333549,0.0,0.0,7.483530838333549,0.0,7.483530838333549
ACYS1,CA,-0.011436356400411346,7.483530838333549,0.0,0.0,7.483530838333549,0.0,7.483530838333549
ACYS2,CA,-0.011436356400411346,7.483530838333549,0.0,0.0,7.483530838333549,0.0,7.483530838333549
ACYX,HA,0.148606667443056,0.6428190552708702,0.0,0.0,0.6428190552708702,0.0,0.6428190552708702
ACYS1,HA,0.148606667443056,0.6428190552708702,0.0,0.0,0.6428190552708702,0.0,0.6428190552708702
ACYS2,HA,0.148606667443056,0.6428190552708702,0.0,0.0,0.6428190552708702,0.0,0.6428190552708702
ACYX,CB,-0.32741752204056135,9.79474333786971,0.0,0.0,9.79474333786971,0.0,9.79474333786971
ACYS1,CB,-0.32741752204056135,9.79474333786971,0.0,0.0,9.79474333786971,0.0,9.79474333786971
ACYS2,CB,-0.32741752204056135,9.79474333786971,0.0,0.0,9.79474333786971,0.0,9.79474333786971
ACYX,C,0.5670280815380885,6.0873453485947815,0.0,0.0,6.0873453485947815,0.0,6.0873453485947815
ACYS1,C,0.5670280815380885,6.0873453485947815,0.0,0.0,6.0873453485947815,0.0,6.0873453485947815
ACYS2,C,0.5670280815380885,6.0873453485947815,0.0,0.0,6.0873453485947815,0.0,6.0873453485947815
ACYX,HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS1,HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS2,HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYX,HB1,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS1,HB1,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS2,HB1,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYX,1HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS1,1HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS2,1HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYX,HB2,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS1,HB2,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS2,HB2,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYX,2HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS1,2HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS2,2HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYX,HB3,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS1,HB3,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS2,HB3,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYX,3HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS1,3HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYS2,3HB,0.1587093878633125,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
ACYX,SG,-0.054149484446220225,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
ACYS1,SG,-0.054149484446220225,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
ACYS2,SG,-0.054149484446220225,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
ACYX,S,-0.054149484446220225,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
ACYS1,S,-0.054149484446220225,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
ACYS2,S,-0.054149484446220225,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
ACYX,O,-0.488658655143253,5.146722372138534,0.0,0.0,5.146722372138534,0.0,5.146722372138534
ACYS1,O,-0.488658655143253,5.146722372138534,0.0,0.0,5.146722372138534,0.0,5.146722372138534
ACYS2,O,-0.488658655143253,5.146722372138534,0.0,0.0,5.146722372138534,0.0,5.146722372138534
AGLH,CY,0.6756516406193813,7.650534550263262,0.0,0.0,7.650534550263262,0.0,7.650534550263262
AGLH,OY,-0.5278206451659224,5.3465604814263035,0.0,0.0,5.3465604814263035,0.0,5.3465604814263035
AGLH,CAY,-0.4605807045865694,7.849754197793652,0.0,0.0,7.849754197793652,0.0,7.849754197793652
AGLH,CH3,-0.4605807045865694,7.849754197793652,0.0,0.0,7.849754197793652,0.0,7.849754197793652
AGLH,HY,0.13014889507249047,1.5120185376481503,0.0,0.0,1.5120185376481503,0.0,1.5120185376481503
AGLH,HY1,0.13014889507249047,1.5120185376481503,0.0,0.0,1.5120185376481503,0.0,1.5120185376481503
AGLH,HY2,0.13014889507249047,1.5120185376481503,0.0,0.0,1.5120185376481503,0.0,1.5120185376481503
AGLH,HY3,0.13014889507249047,1.5120185376481503,0.0,0.0,1.5120185376481503,0.0,1.5120185376481503
AGLH,HH31,0.13014889507249047,1.5120185376481503,0.0,0.0,1.5120185376481503,0.0,1.5120185376481503
AGLH,HH32,0.13014889507249047,1.5120185376481503,0.0,0.0,1.5120185376481503,0.0,1.5120185376481503
AGLH,HH33,0.13014889507249047,1.5120185376481503,0.0,0.0,1.5120185376481503,0.0,1.5120185376481503
AGLH,N,-0.5335775483100166,7.3879628582363805,0.0,0.0,7.3879628582363805,0.0,7.3879628582363805
AGLH,HN,0.2967762087119008,1.2566920363316132,0.0,0.0,1.2566920363316132,0.0,1.2566920363316132
AGLH,H,0.2967762087119008,1.2566920363316132,0.0,0.0,1.2566920363316132,0.0,1.2566920363316132
AGLH,CA,-0.05781673947708574,8.429874464634162,0.0,0.0,8.429874464634162,0.0,8.429874464634162
AGLH,HA,0.13457766389251302,1.6833297755339385,0.0,0.0,1.6833297755339385,0.0,1.6833297755339385
AGLH,CB,-0.12204200940722001,7.628412794012077,0.0,0.0,7.628412794012077,0.0,7.628412794012077
AGLH,C,0.5749133292877667,8.087416859343373,0.0,0.0,8.087416859343373,0.0,8.087416859343373
AGLH,HB,0.0777967776852979,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
AGLH,HB1,0.0777967776852979,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
AGLH,1HB,0.0777967776852979,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
AGLH,HB2,0.0777967776852979,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
AGLH,2HB,0.0777967776852979,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
AGLH,HB3,0.0777967776852979,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
AGLH,3HB,0.0777967776852979,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
AGLH,CG,-0.15933409204432153,7.907595077294109,0.0,0.0,7.907595077294109,0.0,7.907595077294109
AGLH,O,-0.5108124808439518,5.59135204333137,0.0,0.0,5.59135204333137,0.0,5.59135204333137
AGLH,HG,0.08897834089315361,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
AGLH,1HG,0.08897834089315361,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
AGLH,HG1,0.08897834089315361,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
AGLH,HG2,0.08897834089315361,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
AGLH,2HG,0.08897834089315361,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
AGLH,HG3,0.08897834089315361,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
AGLH,3HG,0.08897834089315361,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
AGLH,CD,0.6606374875414085,7.769401977502223,0.0,0.0,7.769401977502223,0.0,7.769401977502223
AGLH,OE1,-0.5394275783743082,5.884801870310396,0.0,0.0,5.884801870310396,0.0,5.884801870310396
AGLH,OE2,-0.5729599900210228,5.458782497177052,0.0,0.0,5.458782497177052,0.0,5.458782497177052
AGLH,HE,0.4178185358030737,1.2562168658998198,0.0,0.0,1.2562168658998198,0.0,1.2562168658998198
AGLH,HE2,0.4178185358030737,1.2562168658998198,0.0,0.0,1.2562168658998198,0.0,1.2562168658998198
ALYD,CY,0.44108330159755665,7.72275771345115,0.0,0.0,7.72275771345115,0.0,7.72275771345115
ALYN,CY,0.44108330159755665,7.72275771345115,0.0,0.0,7.72275771345115,0.0,7.72275771345115
ALYD,OY,-0.4376252846351812,5.409920042035813,0.0,0.0,5.409920042035813,0.0,5.409920042035813
ALYN,OY,-0.4376252846351812,5.409920042035813,0.0,0.0,5.409920042035813,0.0,5.409920042035813
ALYD,CAY,-0.4896092789234666,7.919663451089885,0.0,0.0,7.919663451089885,0.0,7.919663451089885
ALYN,CAY,-0.4896092789234666,7.919663451089885,0.0,0.0,7.919663451089885,0.0,7.919663451089885
ALYD,CH3,-0.4896092789234666,7.919663451089885,0.0,0.0,7.919663451089885,0.0,7.919663451089885
ALYN,CH3,-0.4896092789234666,7.919663451089885,0.0,0.0,7.919663451089885,0.0,7.919663451089885
ALYD,HY,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYN,HY,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYD,HY1,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYN,HY1,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYD,HY2,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYN,HY2,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYD,HY3,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYN,HY3,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYD,HH31,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYN,HH31,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYD,HH32,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYN,HH32,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYD,HH33,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYN,HH33,0.1514170901268492,1.5432430387839078,0.0,0.0,1.5432430387839078,0.0,1.5432430387839078
ALYD,N,-0.36287562487381536,7.441477290823523,0.0,0.0,7.441477290823523,0.0,7.441477290823523
ALYN,N,-0.36287562487381536,7.441477290823523,0.0,0.0,7.441477290823523,0.0,7.441477290823523
ALYD,HN,0.2635927237568751,1.2678683968101505,0.0,0.0,1.2678683968101505,0.0,1.2678683968101505
ALYN,HN,0.2635927237568751,1.2678683968101505,0.0,0.0,1.2678683968101505,0.0,1.2678683968101505
ALYD,H,0.2635927237568751,1.2678683968101505,0.0,0.0,1.2678683968101505,0.0,1.2678683968101505
ALYN,H,0.2635927237568751,1.2678683968101505,0.0,0.0,1.2678683968101505,0.0,1.2678683968101505
ALYD,CA,-0.04571856574263946,8.462821787366286,0.0,0.0,8.462821787366286,0.0,8.462821787366286
ALYN,CA,-0.04571856574263946,8.462821787366286,0.0,0.0,8.462821787366286,0.0,8.462821787366286
ALYD,HA,0.15583697230493682,1.6962557605616753,0.0,0.0,1.6962557605616753,0.0,1.6962557605616753
ALYN,HA,0.15583697230493682,1.6962557605616753,0.0,0.0,1.6962557605616753,0.0,1.6962557605616753
ALYD,CB,-0.2711815444258771,7.944194392203185,0.0,0.0,7.944194392203185,0.0,7.944194392203185
ALYN,CB,-0.2711815444258771,7.944194392203185,0.0,0.0,7.944194392203185,0.0,7.944194392203185
ALYD,C,0.45912836606101604,8.152739502591063,0.0,0.0,8.152739502591063,0.0,8.152739502591063
ALYN,C,0.45912836606101604,8.152739502591063,0.0,0.0,8.152739502591063,0.0,8.152739502591063
ALYD,HB,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYN,HB,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYD,HB1,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYN,HB1,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYD,1HB,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYN,1HB,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYD,HB2,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYN,HB2,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYD,2HB,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYN,2HB,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYD,HB3,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYN,HB3,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYD,3HB,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYN,3HB,0.1278848111574626,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
ALYD,CG,-0.26334905625935845,7.821332343712766,0.0,0.0,7.821332343712766,0.0,7.821332343712766
ALYN,CG,-0.26334905625935845,7.821332343712766,0.0,0.0,7.821332343712766,0.0,7.821332343712766
ALYD,O,-0.4463703009037675,5.628976812201736,0.0,0.0,5.628976812201736,0.0,5.628976812201736
ALYN,O,-0.4463703009037675,5.628976812201736,0.0,0.0,5.628976812201736,0.0,5.628976812201736
ALYD,HG,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYN,HG,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYD,1HG,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYN,1HG,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYD,HG1,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYN,HG1,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYD,HG2,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYN,HG2,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYD,2HG,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYN,2HG,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYD,HG3,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYN,HG3,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYD,3HG,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYN,3HG,0.1358191198719893,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
ALYD,CD,-0.26468205047019655,7.87858583090797,0.0,0.0,7.87858583090797,0.0,7.87858583090797
ALYN,CD,-0.26468205047019655,7.87858583090797,0.0,0.0,7.87858583090797,0.0,7.87858583090797
ALYD,HD,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYN,HD,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYD,1HD,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYN,1HD,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYD,HD1,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYN,HD1,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYD,HD2,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYN,HD2,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYD,2HD,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYN,2HD,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYD,HD3,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYN,HD3,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYD,3HD,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYN,3HD,0.14635269651450727,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
ALYD,CE,-0.1543564504018666,7.831446738591374,0.0,0.0,7.831446738591374,0.0,7.831446738591374
ALYN,CE,-0.1543564504018666,7.831446738591374,0.0,0.0,7.831446738591374,0.0,7.831446738591374
ALYD,HE,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYN,HE,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYD,HE2,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYN,HE2,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYD,1HE,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYN,1HE,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYD,HE1,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYN,HE1,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYD,HE3,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYN,HE3,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYD,2HE,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYN,2HE,0.11847346548436288,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
ALYD,NZ,-0.6284807015250432,7.8265567607612505,0.0,0.0,7.8265567607612505,0.0,7.8265567607612505
ALYN,NZ,-0.6284807015250432,7.8265567607612505,0.0,0.0,7.8265567607612505,0.0,7.8265567607612505
ALYD,HZ,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYN,HZ,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYD,HZ1,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYN,HZ1,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYD,1HZ,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYN,1HZ,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYD,HNZ1,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYN,HNZ1,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYD,HZ2,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYN,HZ2,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYD,2HZ,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYN,2HZ,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYD,HNZ2,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYN,HNZ2,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYD,HZ3,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
ALYN,HZ3,0.26664801900181784,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BALA,N,-0.42641746123112756,7.452014552174972,0.0,0.0,7.452014552174972,0.0,7.452014552174972
BALA,HN,0.26601914438271945,1.4066554937430507,0.0,0.0,1.4066554937430507,0.0,1.4066554937430507
BALA,H,0.26601914438271945,1.4066554937430507,0.0,0.0,1.4066554937430507,0.0,1.4066554937430507
BALA,CA,0.06913599094879994,8.026118643419364,0.0,0.0,8.026118643419364,0.0,8.026118643419364
BALA,HA,0.09842806296128317,1.8656618711373847,0.0,0.0,1.8656618711373847,0.0,1.8656618711373847
BALA,CB,-0.41418479281698534,7.732254625718497,0.0,0.0,7.732254625718497,0.0,7.732254625718497
BALA,C,0.5420833046236291,8.003167813453397,0.0,0.0,8.003167813453397,0.0,8.003167813453397
BALA,HB,0.1239732883206326,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
BALA,HB1,0.1239732883206326,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
BALA,1HB,0.1239732883206326,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
BALA,HB2,0.1239732883206326,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
BALA,2HB,0.1239732883206326,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
BALA,HB3,0.1239732883206326,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
BALA,3HB,0.1239732883206326,1.6268550379111608,0.0,0.0,1.6268550379111608,0.0,1.6268550379111608
BALA,O,-0.5070635101110683,5.670474844310833,0.0,0.0,5.670474844310833,0.0,5.670474844310833
BALA,NT,-0.3657560641687284,7.22152031556435,0.0,0.0,7.22152031556435,0.0,7.22152031556435
BALA,HNT,0.257021169608619,1.2713218156001482,0.0,0.0,1.2713218156001482,0.0,1.2713218156001482
BALA,CAT,-0.3002434989744405,7.476806192972788,0.0,0.0,7.476806192972788,0.0,7.476806192972788
BALA,CH3,-0.3002434989744405,7.476806192972788,0.0,0.0,7.476806192972788,0.0,7.476806192972788
BALA,HT,0.1363525966051339,1.6474082140754194,0.0,0.0,1.6474082140754194,0.0,1.6474082140754194
BALA,HT1,0.1363525966051339,1.6474082140754194,0.0,0.0,1.6474082140754194,0.0,1.6474082140754194
BALA,HT2,0.1363525966051339,1.6474082140754194,0.0,0.0,1.6474082140754194,0.0,1.6474082140754194
BALA,HT3,0.1363525966051339,1.6474082140754194,0.0,0.0,1.6474082140754194,0.0,1.6474082140754194
BALA,HH31,0.1363525966051339,1.6474082140754194,0.0,0.0,1.6474082140754194,0.0,1.6474082140754194
BALA,HH32,0.1363525966051339,1.6474082140754194,0.0,0.0,1.6474082140754194,0.0,1.6474082140754194
BALA,HH33,0.1363525966051339,1.6474082140754194,0.0,0.0,1.6474082140754194,0.0,1.6474082140754194
BARG,N,-0.299878577915225,7.497335053614883,0.0,0.0,7.497335053614883,0.0,7.497335053614883
BARG,HN,0.2191352835863539,1.2908034279711849,0.0,0.0,1.2908034279711849,0.0,1.2908034279711849
BARG,H,0.2191352835863539,1.2908034279711849,0.0,0.0,1.2908034279711849,0.0,1.2908034279711849
BARG,CA,-0.07022136112392967,8.519607754131473,0.0,0.0,8.519607754131473,0.0,8.519607754131473
BARG,HA,0.12039404605970572,1.627871150640945,0.0,0.0,1.627871150640945,0.0,1.627871150640945
BARG,CB,-0.2075874167110918,8.034418360279215,0.0,0.0,8.034418360279215,0.0,8.034418360279215
BARG,C,0.6049181401834519,8.230964635166217,0.0,0.0,8.230964635166217,0.0,8.230964635166217
BARG,HB,0.08950355697426093,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
BARG,HB1,0.08950355697426093,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
BARG,1HB,0.08950355697426093,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
BARG,HB2,0.08950355697426093,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
BARG,2HB,0.08950355697426093,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
BARG,HB3,0.08950355697426093,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
BARG,3HB,0.08950355697426093,1.35065022531976,0.0,0.0,1.35065022531976,0.0,1.35065022531976
BARG,CG,-0.055193176731402685,7.926259303942826,0.0,0.0,7.926259303942826,0.0,7.926259303942826
BARG,O,-0.5090370447143601,5.580545689280881,0.0,0.0,5.580545689280881,0.0,5.580545689280881
BARG,HG,0.07150975512288371,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
BARG,1HG,0.07150975512288371,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
BARG,HG1,0.07150975512288371,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
BARG,HG2,0.07150975512288371,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
BARG,2HG,0.07150975512288371,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
BARG,HG3,0.07150975512288371,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
BARG,3HG,0.07150975512288371,1.3578161531711697,0.0,0.0,1.3578161531711697,0.0,1.3578161531711697
BARG,CD,-0.05395803832434307,7.507732747646795,0.0,0.0,7.507732747646795,0.0,7.507732747646795
BARG,HD,0.12411274209076154,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
BARG,1HD,0.12411274209076154,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
BARG,HD1,0.12411274209076154,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
BARG,HD2,0.12411274209076154,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
BARG,2HD,0.12411274209076154,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
BARG,HD3,0.12411274209076154,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
BARG,3HD,0.12411274209076154,1.358547123035734,0.0,0.0,1.358547123035734,0.0,1.358547123035734
BARG,NE,-0.4394566134503712,7.4183428103894675,0.0,0.0,7.4183428103894675,0.0,7.4183428103894675
BARG,HE,0.3642496805215158,1.1308319501325468,0.0,0.0,1.1308319501325468,0.0,1.1308319501325468
BARG,CZ,0.5301500045454098,8.25843646361889,0.0,0.0,8.25843646361889,0.0,8.25843646361889
BARG,NH,-0.7023238671316618,6.36285678033744,0.0,0.0,6.36285678033744,0.0,6.36285678033744
BARG,NH1,-0.7023238671316618,6.36285678033744,0.0,0.0,6.36285678033744,0.0,6.36285678033744
BARG,NH2,-0.7023238671316618,6.36285678033744,0.0,0.0,6.36285678033744,0.0,6.36285678033744
BARG,HH,0.40723051849482944,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
BARG,HH11,0.40723051849482944,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
BARG,1HH1,0.40723051849482944,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
BARG,HH12,0.40723051849482944,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
BARG,2HH1,0.40723051849482944,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
BARG,HH21,0.40723051849482944,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
BARG,1HH2,0.40723051849482944,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
BARG,HH22,0.40723051849482944,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
BARG,2HH2,0.40723051849482944,0.7158658611047481,0.0,0.0,0.7158658611047481,0.0,0.7158658611047481
BARG,NT,-0.3850279148481915,7.32404567789828,0.0,0.0,7.32404567789828,0.0,7.32404567789828
BARG,HNT,0.2511560900606193,1.2246110169087978,0.0,0.0,1.2246110169087978,0.0,1.2246110169087978
BARG,CAT,-0.29349773958735054,7.445764571583484,0.0,0.0,7.445764571583484,0.0,7.445764571583484
BARG,CH3,-0.29349773958735054,7.445764571583484,0.0,0.0,7.445764571583484,0.0,7.445764571583484
BARG,HT,0.1431093967858008,1.5388300300937856,0.0,0.0,1.5388300300937856,0.0,1.5388300300937856
BARG,HT1,0.1431093967858008,1.5388300300937856,0.0,0.0,1.5388300300937856,0.0,1.5388300300937856
BARG,HT2,0.1431093967858008,1.5388300300937856,0.0,0.0,1.5388300300937856,0.0,1.5388300300937856
BARG,HT3,0.1431093967858008,1.5388300300937856,0.0,0.0,1.5388300300937856,0.0,1.5388300300937856
BARG,HH31,0.1431093967858008,1.5388300300937856,0.0,0.0,1.5388300300937856,0.0,1.5388300300937856
BARG,HH32,0.1431093967858008,1.5388300300937856,0.0,0.0,1.5388300300937856,0.0,1.5388300300937856
BARG,HH33,0.1431093967858008,1.5388300300937856,0.0,0.0,1.5388300300937856,0.0,1.5388300300937856
BASN,N,-0.35086122954601384,7.351315503814133,0.0,0.0,7.351315503814133,0.0,7.351315503814133
BASN,HN,0.2363816013327809,1.3074840472934133,0.0,0.0,1.3074840472934133,0.0,1.3074840472934133
BASN,H,0.2363816013327809,1.3074840472934133,0.0,0.0,1.3074840472934133,0.0,1.3074840472934133
BASN,CA,-0.041398161644776346,8.311645222564975,0.0,0.0,8.311645222564975,0.0,8.311645222564975
BASN,HA,0.11474975927085192,1.5802233652151134,0.0,0.0,1.5802233652151134,0.0,1.5802233652151134
BASN,CB,-0.3578691522236552,8.072364205046812,0.0,0.0,8.072364205046812,0.0,8.072364205046812
BASN,C,0.5759291310443025,8.082581756550708,0.0,0.0,8.082581756550708,0.0,8.082581756550708
BASN,HB,0.12060455716339155,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
BASN,HB1,0.12060455716339155,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
BASN,1HB,0.12060455716339155,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
BASN,HB2,0.12060455716339155,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
BASN,2HB,0.12060455716339155,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
BASN,HB3,0.12060455716339155,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
BASN,3HB,0.12060455716339155,1.42954954185769,0.0,0.0,1.42954954185769,0.0,1.42954954185769
BASN,CG,0.7548701969437033,8.044258162171264,0.0,0.0,8.044258162171264,0.0,8.044258162171264
BASN,O,-0.4987756992179905,5.622019049753655,0.0,0.0,5.622019049753655,0.0,5.622019049753655
BASN,OD,-0.5171321822113611,5.559956487100541,0.0,0.0,5.559956487100541,0.0,5.559956487100541
BASN,OD1,-0.5171321822113611,5.559956487100541,0.0,0.0,5.559956487100541,0.0,5.559956487100541
BASN,ND,-0.9579606601311239,7.577177478752255,0.0,0.0,7.577177478752255,0.0,7.577177478752255
BASN,ND2,-0.9579606601311239,7.577177478752255,0.0,0.0,7.577177478752255,0.0,7.577177478752255
BASN,HD,0.40739407152195345,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
BASN,HD21,0.40739407152195345,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
BASN,1HD2,0.40739407152195345,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
BASN,HN21,0.40739407152195345,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
BASN,HD22,0.40739407152195345,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
BASN,2HD2,0.40739407152195345,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
BASN,HN22,0.40739407152195345,1.271822958454778,0.0,0.0,1.271822958454778,0.0,1.271822958454778
BASN,NT,-0.3937795773429647,7.252764846970613,0.0,0.0,7.252764846970613,0.0,7.252764846970613
BASN,HNT,0.26216089357068956,1.1741144023384806,0.0,0.0,1.1741144023384806,0.0,1.1741144023384806
BASN,CAT,-0.25267371737239236,7.493521198440551,0.0,0.0,7.493521198440551,0.0,7.493521198440551
BASN,CH3,-0.25267371737239236,7.493521198440551,0.0,0.0,7.493521198440551,0.0,7.493521198440551
BASN,HT,0.1234538467190866,1.5146966342041046,0.0,0.0,1.5146966342041046,0.0,1.5146966342041046
BASN,HT1,0.1234538467190866,1.5146966342041046,0.0,0.0,1.5146966342041046,0.0,1.5146966342041046
BASN,HT2,0.1234538467190866,1.5146966342041046,0.0,0.0,1.5146966342041046,0.0,1.5146966342041046
BASN,HT3,0.1234538467190866,1.5146966342041046,0.0,0.0,1.5146966342041046,0.0,1.5146966342041046
BASN,HH31,0.1234538467190866,1.5146966342041046,0.0,0.0,1.5146966342041046,0.0,1.5146966342041046
BASN,HH32,0.1234538467190866,1.5146966342041046,0.0,0.0,1.5146966342041046,0.0,1.5146966342041046
BASN,HH33,0.1234538467190866,1.5146966342041046,0.0,0.0,1.5146966342041046,0.0,1.5146966342041046
BASP,N,-0.5741946747357847,7.43190644779396,0.0,0.0,7.43190644779396,0.0,7.43190644779396
BASP,HN,0.3021421505781608,1.101900335934383,0.0,0.0,1.101900335934383,0.0,1.101900335934383
BASP,H,0.3021421505781608,1.101900335934383,0.0,0.0,1.101900335934383,0.0,1.101900335934383
BASP,CA,0.10438392381382738,9.144842274581682,0.0,0.0,9.144842274581682,0.0,9.144842274581682
BASP,HA,0.07071229162365641,1.5021581579074204,0.0,0.0,1.5021581579074204,0.0,1.5021581579074204
BASP,CB,-0.2205295609485178,10.130208299404728,0.0,0.0,10.130208299404728,0.0,10.130208299404728
BASP,C,0.6439468354367244,8.520574071318348,0.0,0.0,8.520574071318348,0.0,8.520574071318348
BASP,HB,0.01564797719201936,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
BASP,HB1,0.01564797719201936,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
BASP,1HB,0.01564797719201936,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
BASP,HB2,0.01564797719201936,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
BASP,2HB,0.01564797719201936,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
BASP,HB3,0.01564797719201936,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
BASP,3HB,0.01564797719201936,1.4111839319816515,0.0,0.0,1.4111839319816515,0.0,1.4111839319816515
BASP,CG,0.8574843748007073,10.279958179165893,0.0,0.0,10.279958179165893,0.0,10.279958179165893
BASP,O,-0.5557665286604699,5.746860612300507,0.0,0.0,5.746860612300507,0.0,5.746860612300507
BASP,OD,-0.7776922689906804,6.803954176992723,0.0,0.0,6.803954176992723,0.0,6.803954176992723
BASP,OD1,-0.7776922689906804,6.803954176992723,0.0,0.0,6.803954176992723,0.0,6.803954176992723
BASP,OD2,-0.7776922689906804,6.803954176992723,0.0,0.0,6.803954176992723,0.0,6.803954176992723
BASP,NT,-0.48447874261035456,7.42475525369004,0.0,0.0,7.42475525369004,0.0,7.42475525369004
BASP,HNT,0.28218540602657366,1.0857862471900277,0.0,0.0,1.0857862471900277,0.0,1.0857862471900277
BASP,CAT,-0.1576535465685484,7.874032084680044,0.0,0.0,7.874032084680044,0.0,7.874032084680044
BASP,CH3,-0.1576535465685484,7.874032084680044,0.0,0.0,7.874032084680044,0.0,7.874032084680044
BASP,HT,0.08528555161378255,1.4333481813959221,0.0,0.0,1.4333481813959221,0.0,1.4333481813959221
BASP,HT1,0.08528555161378255,1.4333481813959221,0.0,0.0,1.4333481813959221,0.0,1.4333481813959221
BASP,HT2,0.08528555161378255,1.4333481813959221,0.0,0.0,1.4333481813959221,0.0,1.4333481813959221
BASP,HT3,0.08528555161378255,1.4333481813959221,0.0,0.0,1.4333481813959221,0.0,1.4333481813959221
BASP,HH31,0.08528555161378255,1.4333481813959221,0.0,0.0,1.4333481813959221,0.0,1.4333481813959221
BASP,HH32,0.08528555161378255,1.4333481813959221,0.0,0.0,1.4333481813959221,0.0,1.4333481813959221
BASP,HH33,0.08528555161378255,1.4333481813959221,0.0,0.0,1.4333481813959221,0.0,1.4333481813959221
BCYS,N,-0.3411920907009279,7.487183957234861,0.0,0.0,7.487183957234861,0.0,7.487183957234861
BCYS,HN,0.24020749575282452,1.2042756027148702,0.0,0.0,1.2042756027148702,0.0,1.2042756027148702
BCYS,H,0.24020749575282452,1.2042756027148702,0.0,0.0,1.2042756027148702,0.0,1.2042756027148702
BCYS,CA,-0.02417534072448495,8.845205273788256,0.0,0.0,8.845205273788256,0.0,8.845205273788256
BCYS,HA,0.1470503493688646,1.615355652444607,0.0,0.0,1.615355652444607,0.0,1.615355652444607
BCYS,CB,-0.33781762479822736,9.149141062604961,0.0,0.0,9.149141062604961,0.0,9.149141062604961
BCYS,C,0.5518698006896113,8.165873179330676,0.0,0.0,8.165873179330676,0.0,8.165873179330676
BCYS,HB,0.1530129076474358,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
BCYS,HB1,0.1530129076474358,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
BCYS,1HB,0.1530129076474358,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
BCYS,HB2,0.1530129076474358,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
BCYS,2HB,0.1530129076474358,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
BCYS,HB3,0.1530129076474358,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
BCYS,3HB,0.1530129076474358,1.3402502071051547,0.0,0.0,1.3402502071051547,0.0,1.3402502071051547
BCYS,SG,-0.23719340083551482,18.340193931247118,0.0,0.0,18.340193931247118,0.0,18.340193931247118
BCYS,S,-0.23719340083551482,18.340193931247118,0.0,0.0,18.340193931247118,0.0,18.340193931247118
BCYS,O,-0.4862144197128013,5.5721617644427734,0.0,0.0,5.5721617644427734,0.0,5.5721617644427734
BCYS,HG,0.1756215737568052,2.778835396090881,0.0,0.0,2.778835396090881,0.0,2.778835396090881
BCYS,HG1,0.1756215737568052,2.778835396090881,0.0,0.0,2.778835396090881,0.0,2.778835396090881
BCYS,NT,-0.36338227717180255,7.235891113399209,0.0,0.0,7.235891113399209,0.0,7.235891113399209
BCYS,HNT,0.25963421915805784,1.1197200642714351,0.0,0.0,1.1197200642714351,0.0,1.1197200642714351
BCYS,CAT,-0.30646648849449065,7.472895930397595,0.0,0.0,7.472895930397595,0.0,7.472895930397595
BCYS,CH3,-0.30646648849449065,7.472895930397595,0.0,0.0,7.472895930397595,0.0,7.472895930397595
BCYS,HT,0.13867746280573814,1.4101125898851228,0.0,0.0,1.4101125898851228,0.0,1.4101125898851228
BCYS,HT1,0.13867746280573814,1.4101125898851228,0.0,0.0,1.4101125898851228,0.0,1.4101125898851228
BCYS,HT2,0.13867746280573814,1.4101125898851228,0.0,0.0,1.4101125898851228,0.0,1.4101125898851228
BCYS,HT3,0.13867746280573814,1.4101125898851228,0.0,0.0,1.4101125898851228,0.0,1.4101125898851228
BCYS,HH31,0.13867746280573814,1.4101125898851228,0.0,0.0,1.4101125898851228,0.0,1.4101125898851228
BCYS,HH32,0.13867746280573814,1.4101125898851228,0.0,0.0,1.4101125898851228,0.0,1.4101125898851228
BCYS,HH33,0.13867746280573814,1.4101125898851228,0.0,0.0,1.4101125898851228,0.0,1.4101125898851228
BGLN,N,-0.37684153703626555,7.42592454872608,0.0,0.0,7.42592454872608,0.0,7.42592454872608
BGLN,HN,0.24567169922872284,1.2542547984613779,0.0,0.0,1.2542547984613779,0.0,1.2542547984613779
BGLN,H,0.24567169922872284,1.2542547984613779,0.0,0.0,1.2542547984613779,0.0,1.2542547984613779
BGLN,CA,-0.0691935812824224,8.379542872207088,0.0,0.0,8.379542872207088,0.0,8.379542872207088
BGLN,HA,0.12586821023229083,1.686135442208795,0.0,0.0,1.686135442208795,0.0,1.686135442208795
BGLN,CB,-0.09600945304428844,7.723719528425527,0.0,0.0,7.723719528425527,0.0,7.723719528425527
BGLN,C,0.5709347275709612,8.108924578314337,0.0,0.0,8.108924578314337,0.0,8.108924578314337
BGLN,HB,0.07278628416877979,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
BGLN,HB1,0.07278628416877979,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
BGLN,1HB,0.07278628416877979,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
BGLN,HB2,0.07278628416877979,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
BGLN,2HB,0.07278628416877979,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
BGLN,HB3,0.07278628416877979,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
BGLN,3HB,0.07278628416877979,1.3167078191247272,0.0,0.0,1.3167078191247272,0.0,1.3167078191247272
BGLN,CG,-0.2884043513466556,8.021300856046283,0.0,0.0,8.021300856046283,0.0,8.021300856046283
BGLN,O,-0.5085844920625321,5.607188879810153,0.0,0.0,5.607188879810153,0.0,5.607188879810153
BGLN,HG,0.09587282892340752,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
BGLN,1HG,0.09587282892340752,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
BGLN,HG1,0.09587282892340752,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
BGLN,HG2,0.09587282892340752,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
BGLN,2HG,0.09587282892340752,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
BGLN,HG3,0.09587282892340752,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
BGLN,3HG,0.09587282892340752,1.4546855009843296,0.0,0.0,1.4546855009843296,0.0,1.4546855009843296
BGLN,CD,0.7610284232460515,8.145659874439641,0.0,0.0,8.145659874439641,0.0,8.145659874439641
BGLN,OE,-0.5416689355695143,5.6485037702594445,0.0,0.0,5.6485037702594445,0.0,5.6485037702594445
BGLN,OE1,-0.5416689355695143,5.6485037702594445,0.0,0.0,5.6485037702594445,0.0,5.6485037702594445
BGLN,NE,-0.9738755696168602,7.665721929671552,0.0,0.0,7.665721929671552,0.0,7.665721929671552
BGLN,NE2,-0.9738755696168602,7.665721929671552,0.0,0.0,7.665721929671552,0.0,7.665721929671552
BGLN,HE,0.4100500827239783,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
BGLN,HE21,0.4100500827239783,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
BGLN,1HE2,0.4100500827239783,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
BGLN,HE22,0.4100500827239783,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
BGLN,2HE2,0.4100500827239783,1.2952280459358405,0.0,0.0,1.2952280459358405,0.0,1.2952280459358405
BGLN,NT,-0.3582672840195255,7.230327592711014,0.0,0.0,7.230327592711014,0.0,7.230327592711014
BGLN,HNT,0.2448051468861469,1.1879724264563467,0.0,0.0,1.1879724264563467,0.0,1.1879724264563467
BGLN,CAT,-0.27730129259149333,7.509893782033528,0.0,0.0,7.509893782033528,0.0,7.509893782033528
BGLN,CH3,-0.27730129259149333,7.509893782033528,0.0,0.0,7.509893782033528,0.0,7.509893782033528
BGLN,HT,0.128139965924351,1.5123724429218142,0.0,0.0,1.5123724429218142,0.0,1.5123724429218142
BGLN,HT1,0.128139965924351,1.5123724429218142,0.0,0.0,1.5123724429218142,0.0,1.5123724429218142
BGLN,HT2,0.128139965924351,1.5123724429218142,0.0,0.0,1.5123724429218142,0.0,1.5123724429218142
BGLN,HT3,0.128139965924351,1.5123724429218142,0.0,0.0,1.5123724429218142,0.0,1.5123724429218142
BGLN,HH31,0.128139965924351,1.5123724429218142,0.0,0.0,1.5123724429218142,0.0,1.5123724429218142
BGLN,HH32,0.128139965924351,1.5123724429218142,0.0,0.0,1.5123724429218142,0.0,1.5123724429218142
BGLN,HH33,0.128139965924351,1.5123724429218142,0.0,0.0,1.5123724429218142,0.0,1.5123724429218142
BGLU,N,-0.5306910370142919,7.507705348801201,0.0,0.0,7.507705348801201,0.0,7.507705348801201
BGLU,HN,0.2865843511160331,1.104889768099429,0.0,0.0,1.104889768099429,0.0,1.104889768099429
BGLU,H,0.2865843511160331,1.104889768099429,0.0,0.0,1.104889768099429,0.0,1.104889768099429
BGLU,CA,0.025410705046209688,9.06201546773597,0.0,0.0,9.06201546773597,0.0,9.06201546773597
BGLU,HA,0.09730873217843887,1.6563109346128542,0.0,0.0,1.6563109346128542,0.0,1.6563109346128542
BGLU,CB,0.011838029700834148,8.585024033290237,0.0,0.0,8.585024033290237,0.0,8.585024033290237
BGLU,C,0.5802784054275198,8.20649754423834,0.0,0.0,8.20649754423834,0.0,8.20649754423834
BGLU,HB,0.0033951746196987133,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
BGLU,HB1,0.0033951746196987133,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
BGLU,1HB,0.0033951746196987133,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
BGLU,HB2,0.0033951746196987133,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
BGLU,2HB,0.0033951746196987133,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
BGLU,HB3,0.0033951746196987133,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
BGLU,3HB,0.0033951746196987133,1.1159086018312014,0.0,0.0,1.1159086018312014,0.0,1.1159086018312014
BGLU,CG,-0.1238278380314731,10.31617131429664,0.0,0.0,10.31617131429664,0.0,10.31617131429664
BGLU,O,-0.5365380875927733,5.764610609123514,0.0,0.0,5.764610609123514,0.0,5.764610609123514
BGLU,HG,-0.00891036775694951,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
BGLU,1HG,-0.00891036775694951,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
BGLU,HG1,-0.00891036775694951,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
BGLU,HG2,-0.00891036775694951,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
BGLU,2HG,-0.00891036775694951,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
BGLU,HG3,-0.00891036775694951,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
BGLU,3HG,-0.00891036775694951,1.4288294675325934,0.0,0.0,1.4288294675325934,0.0,1.4288294675325934
BGLU,CD,0.8599789811792288,10.578894118207335,0.0,0.0,10.578894118207335,0.0,10.578894118207335
BGLU,OE,-0.8030785630221318,6.987992405530969,0.0,0.0,6.987992405530969,0.0,6.987992405530969
BGLU,OE1,-0.8030785630221318,6.987992405530969,0.0,0.0,6.987992405530969,0.0,6.987992405530969
BGLU,OE2,-0.8030785630221318,6.987992405530969,0.0,0.0,6.987992405530969,0.0,6.987992405530969
BGLU,NT,-0.3452484358035216,7.124206790322917,0.0,0.0,7.124206790322917,0.0,7.124206790322917
BGLU,HNT,0.2354183353156721,1.109604307617084,0.0,0.0,1.109604307617084,0.0,1.109604307617084
BGLU,CAT,-0.3142027435907549,7.560982028024854,0.0,0.0,7.560982028024854,0.0,7.560982028024854
BGLU,CH3,-0.3142027435907549,7.560982028024854,0.0,0.0,7.560982028024854,0.0,7.560982028024854
BGLU,HT,0.1236260381292144,1.4710746099016083,0.0,0.0,1.4710746099016083,0.0,1.4710746099016083
BGLU,HT1,0.1236260381292144,1.4710746099016083,0.0,0.0,1.4710746099016083,0.0,1.4710746099016083
BGLU,HT2,0.1236260381292144,1.4710746099016083,0.0,0.0,1.4710746099016083,0.0,1.4710746099016083
BGLU,HT3,0.1236260381292144,1.4710746099016083,0.0,0.0,1.4710746099016083,0.0,1.4710746099016083
BGLU,HH31,0.1236260381292144,1.4710746099016083,0.0,0.0,1.4710746099016083,0.0,1.4710746099016083
BGLU,HH32,0.1236260381292144,1.4710746099016083,0.0,0.0,1.4710746099016083,0.0,1.4710746099016083
BGLU,HH33,0.1236260381292144,1.4710746099016083,0.0,0.0,1.4710746099016083,0.0,1.4710746099016083
BGLY,N,-0.3099455811477097,7.314969573887134,0.0,0.0,7.314969573887134,0.0,7.314969573887134
BGLY,HN,0.25032130159876037,1.4199732929269058,0.0,0.0,1.4199732929269058,0.0,1.4199732929269058
BGLY,H,0.25032130159876037,1.4199732929269058,0.0,0.0,1.4199732929269058,0.0,1.4199732929269058
BGLY,CA,-0.33143375408368186,7.978577814377556,0.0,0.0,7.978577814377556,0.0,7.978577814377556
BGLY,C,0.6152269945252283,7.975457565014129,0.0,0.0,7.975457565014129,0.0,7.975457565014129
BGLY,HA,0.14473802502423438,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
BGLY,HA2,0.14473802502423438,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
BGLY,1HA,0.14473802502423438,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
BGLY,HA1,0.14473802502423438,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
BGLY,HA3,0.14473802502423438,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
BGLY,2HA,0.14473802502423438,1.6944003020343994,0.0,0.0,1.6944003020343994,0.0,1.6944003020343994
BGLY,O,-0.5096670922262257,5.694554131402796,0.0,0.0,5.694554131402796,0.0,5.694554131402796
BGLY,NT,-0.40069457744631404,7.3172762088397825,0.0,0.0,7.3172762088397825,0.0,7.3172762088397825
BGLY,HNT,0.2770809623217453,1.2733343279182543,0.0,0.0,1.2733343279182543,0.0,1.2733343279182543
BGLY,CAT,-0.2699441600077618,7.427150914527846,0.0,0.0,7.427150914527846,0.0,7.427150914527846
BGLY,CH3,-0.2699441600077618,7.427150914527846,0.0,0.0,7.427150914527846,0.0,7.427150914527846
BGLY,HT,0.12985995213916343,1.5891707122539975,0.0,0.0,1.5891707122539975,0.0,1.5891707122539975
BGLY,HT1,0.12985995213916343,1.5891707122539975,0.0,0.0,1.5891707122539975,0.0,1.5891707122539975
BGLY,HT2,0.12985995213916343,1.5891707122539975,0.0,0.0,1.5891707122539975,0.0,1.5891707122539975
BGLY,HT3,0.12985995213916343,1.5891707122539975,0.0,0.0,1.5891707122539975,0.0,1.5891707122539975
BGLY,HH31,0.12985995213916343,1.5891707122539975,0.0,0.0,1.5891707122539975,0.0,1.5891707122539975
BGLY,HH32,0.12985995213916343,1.5891707122539975,0.0,0.0,1.5891707122539975,0.0,1.5891707122539975
BGLY,HH33,0.12985995213916343,1.5891707122539975,0.0,0.0,1.5891707122539975,0.0,1.5891707122539975
BHID,N,-0.37651112776065804,7.78613451310343,0.0,0.0,7.78613451310343,0.0,7.78613451310343
BHSD,N,-0.37651112776065804,7.78613451310343,0.0,0.0,7.78613451310343,0.0,7.78613451310343
BHID,HN,0.238871059433185,1.2974512037925365,0.0,0.0,1.2974512037925365,0.0,1.2974512037925365
BHSD,HN,0.238871059433185,1.2974512037925365,0.0,0.0,1.2974512037925365,0.0,1.2974512037925365
BHID,H,0.238871059433185,1.2974512037925365,0.0,0.0,1.2974512037925365,0.0,1.2974512037925365
BHSD,H,0.238871059433185,1.2974512037925365,0.0,0.0,1.2974512037925365,0.0,1.2974512037925365
BHID,CA,0.03420127598059799,8.339312186596214,0.0,0.0,8.339312186596214,0.0,8.339312186596214
BHSD,CA,0.03420127598059799,8.339312186596214,0.0,0.0,8.339312186596214,0.0,8.339312186596214
BHID,HA,0.09884815927295237,1.5993687900206726,0.0,0.0,1.5993687900206726,0.0,1.5993687900206726
BHSD,HA,0.09884815927295237,1.5993687900206726,0.0,0.0,1.5993687900206726,0.0,1.5993687900206726
BHID,CB,-0.3178051995091618,8.245721444101152,0.0,0.0,8.245721444101152,0.0,8.245721444101152
BHSD,CB,-0.3178051995091618,8.245721444101152,0.0,0.0,8.245721444101152,0.0,8.245721444101152
BHID,C,0.5506492732682458,7.5990557904252345,0.0,0.0,7.5990557904252345,0.0,7.5990557904252345
BHSD,C,0.5506492732682458,7.5990557904252345,0.0,0.0,7.5990557904252345,0.0,7.5990557904252345
BHID,HB,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHSD,HB,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHID,HB1,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHSD,HB1,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHID,1HB,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHSD,1HB,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHID,HB2,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHSD,HB2,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHID,2HB,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHSD,2HB,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHID,HB3,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHSD,HB3,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHID,3HB,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHSD,3HB,0.1191193287936463,1.4009145401499723,0.0,0.0,1.4009145401499723,0.0,1.4009145401499723
BHID,CG,0.09526920678251936,8.594070017375676,0.0,0.0,8.594070017375676,0.0,8.594070017375676
BHSD,CG,0.09526920678251936,8.594070017375676,0.0,0.0,8.594070017375676,0.0,8.594070017375676
BHID,O,-0.49297093637719214,5.230005830720671,0.0,0.0,5.230005830720671,0.0,5.230005830720671
BHSD,O,-0.49297093637719214,5.230005830720671,0.0,0.0,5.230005830720671,0.0,5.230005830720671
BHID,ND,-0.3145792055347088,6.620163519298822,0.0,0.0,6.620163519298822,0.0,6.620163519298822
BHSD,ND,-0.3145792055347088,6.620163519298822,0.0,0.0,6.620163519298822,0.0,6.620163519298822
BHID,ND1,-0.3145792055347088,6.620163519298822,0.0,0.0,6.620163519298822,0.0,6.620163519298822
BHSD,ND1,-0.3145792055347088,6.620163519298822,0.0,0.0,6.620163519298822,0.0,6.620163519298822
BHID,CD,0.07641574950525883,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
BHSD,CD,0.07641574950525883,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
BHID,CD1,0.07641574950525883,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
BHSD,CD1,0.07641574950525883,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
BHID,CD2,0.07641574950525883,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
BHSD,CD2,0.07641574950525883,8.48305682204261,0.0,0.0,8.48305682204261,0.0,8.48305682204261
BHID,HD1,0.3108119386096846,1.3004456192470193,0.0,0.0,1.3004456192470193,0.0,1.3004456192470193
BHSD,HD1,0.3108119386096846,1.3004456192470193,0.0,0.0,1.3004456192470193,0.0,1.3004456192470193
BHID,CE,0.14012660343045943,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
BHSD,CE,0.14012660343045943,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
BHID,CE1,0.14012660343045943,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
BHSD,CE1,0.14012660343045943,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
BHID,CE2,0.14012660343045943,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
BHSD,CE2,0.14012660343045943,8.332471176655705,0.0,0.0,8.332471176655705,0.0,8.332471176655705
BHID,NE,-0.5163995914616869,7.565561564554987,0.0,0.0,7.565561564554987,0.0,7.565561564554987
BHSD,NE,-0.5163995914616869,7.565561564554987,0.0,0.0,7.565561564554987,0.0,7.565561564554987
BHID,NE2,-0.5163995914616869,7.565561564554987,0.0,0.0,7.565561564554987,0.0,7.565561564554987
BHSD,NE2,-0.5163995914616869,7.565561564554987,0.0,0.0,7.565561564554987,0.0,7.565561564554987
BHID,HD2,0.1104378436930378,1.799351737786854,0.0,0.0,1.799351737786854,0.0,1.799351737786854
BHSD,HD2,0.1104378436930378,1.799351737786854,0.0,0.0,1.799351737786854,0.0,1.799351737786854
BHID,HE,0.13138291045226452,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
BHSD,HE,0.13138291045226452,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
BHID,HE1,0.13138291045226452,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
BHSD,HE1,0.13138291045226452,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
BHID,HE2,0.13138291045226452,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
BHSD,HE2,0.13138291045226452,2.023271774086201,0.0,0.0,2.023271774086201,0.0,2.023271774086201
BHID,NT,-0.3821578481651882,7.069789409820225,0.0,0.0,7.069789409820225,0.0,7.069789409820225
BHSD,NT,-0.3821578481651882,7.069789409820225,0.0,0.0,7.069789409820225,0.0,7.069789409820225
BHID,HNT,0.2641765403057174,1.1846901791472095,0.0,0.0,1.1846901791472095,0.0,1.1846901791472095
BHSD,HNT,0.2641765403057174,1.1846901791472095,0.0,0.0,1.1846901791472095,0.0,1.1846901791472095
BHID,CAT,-0.30465521923556094,7.296538014810174,0.0,0.0,7.296538014810174,0.0,7.296538014810174
BHSD,CAT,-0.30465521923556094,7.296538014810174,0.0,0.0,7.296538014810174,0.0,7.296538014810174
BHID,CH3,-0.30465521923556094,7.296538014810174,0.0,0.0,7.296538014810174,0.0,7.296538014810174
BHSD,CH3,-0.30465521923556094,7.296538014810174,0.0,0.0,7.296538014810174,0.0,7.296538014810174
BHID,HT,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHSD,HT,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHID,HT1,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHSD,HT1,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHID,HT2,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHSD,HT2,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHID,HT3,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHSD,HT3,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHID,HH31,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHSD,HH31,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHID,HH32,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHSD,HH32,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHID,HH33,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHSD,HH33,0.13854996990764706,1.529456772105395,0.0,0.0,1.529456772105395,0.0,1.529456772105395
BHIE,N,-0.4101806915976504,7.826882002722296,0.0,0.0,7.826882002722296,0.0,7.826882002722296
BHSE,N,-0.4101806915976504,7.826882002722296,0.0,0.0,7.826882002722296,0.0,7.826882002722296
BHIE,HN,0.25032531176410805,1.2806800782112366,0.0,0.0,1.2806800782112366,0.0,1.2806800782112366
BHSE,HN,0.25032531176410805,1.2806800782112366,0.0,0.0,1.2806800782112366,0.0,1.2806800782112366
BHIE,H,0.25032531176410805,1.2806800782112366,0.0,0.0,1.2806800782112366,0.0,1.2806800782112366
BHSE,H,0.25032531176410805,1.2806800782112366,0.0,0.0,1.2806800782112366,0.0,1.2806800782112366
BHIE,CA,0.04790687245125879,8.311243719508104,0.0,0.0,8.311243719508104,0.0,8.311243719508104
BHSE,CA,0.04790687245125879,8.311243719508104,0.0,0.0,8.311243719508104,0.0,8.311243719508104
BHIE,HA,0.09040216732337443,1.6071640327568533,0.0,0.0,1.6071640327568533,0.0,1.6071640327568533
BHSE,HA,0.09040216732337443,1.6071640327568533,0.0,0.0,1.6071640327568533,0.0,1.6071640327568533
BHIE,CB,-0.26668979983418867,8.202127284225172,0.0,0.0,8.202127284225172,0.0,8.202127284225172
BHSE,CB,-0.26668979983418867,8.202127284225172,0.0,0.0,8.202127284225172,0.0,8.202127284225172
BHIE,C,0.550535458057316,7.63195570313551,0.0,0.0,7.63195570313551,0.0,7.63195570313551
BHSE,C,0.550535458057316,7.63195570313551,0.0,0.0,7.63195570313551,0.0,7.63195570313551
BHIE,HB,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHSE,HB,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHIE,HB1,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHSE,HB1,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHIE,1HB,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHSE,1HB,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHIE,HB2,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHSE,HB2,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHIE,2HB,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHSE,2HB,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHIE,HB3,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHSE,HB3,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHIE,3HB,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHSE,3HB,0.09235899535887518,1.4026459253131394,0.0,0.0,1.4026459253131394,0.0,1.4026459253131394
BHIE,CG,0.3761664435743854,8.479165130436018,0.0,0.0,8.479165130436018,0.0,8.479165130436018
BHSE,CG,0.3761664435743854,8.479165130436018,0.0,0.0,8.479165130436018,0.0,8.479165130436018
BHIE,O,-0.4992169473544681,5.375584944067105,0.0,0.0,5.375584944067105,0.0,5.375584944067105
BHSE,O,-0.4992169473544681,5.375584944067105,0.0,0.0,5.375584944067105,0.0,5.375584944067105
BHIE,ND,-0.4737911303667298,7.383852290943572,0.0,0.0,7.383852290943572,0.0,7.383852290943572
BHSE,ND,-0.4737911303667298,7.383852290943572,0.0,0.0,7.383852290943572,0.0,7.383852290943572
BHIE,ND1,-0.4737911303667298,7.383852290943572,0.0,0.0,7.383852290943572,0.0,7.383852290943572
BHSE,ND1,-0.4737911303667298,7.383852290943572,0.0,0.0,7.383852290943572,0.0,7.383852290943572
BHIE,CD,-0.32166409559230347,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
BHSE,CD,-0.32166409559230347,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
BHIE,CD1,-0.32166409559230347,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
BHSE,CD1,-0.32166409559230347,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
BHIE,CD2,-0.32166409559230347,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
BHSE,CD2,-0.32166409559230347,8.576087388430704,0.0,0.0,8.576087388430704,0.0,8.576087388430704
BHIE,CE,0.06650100176335697,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
BHSE,CE,0.06650100176335697,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
BHIE,CE1,0.06650100176335697,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
BHSE,CE1,0.06650100176335697,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
BHIE,CE2,0.06650100176335697,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
BHSE,CE2,0.06650100176335697,8.22808669638257,0.0,0.0,8.22808669638257,0.0,8.22808669638257
BHIE,NE,-0.2141123226730433,6.64512048891844,0.0,0.0,6.64512048891844,0.0,6.64512048891844
BHSE,NE,-0.2141123226730433,6.64512048891844,0.0,0.0,6.64512048891844,0.0,6.64512048891844
BHIE,NE2,-0.2141123226730433,6.64512048891844,0.0,0.0,6.64512048891844,0.0,6.64512048891844
BHSE,NE2,-0.2141123226730433,6.64512048891844,0.0,0.0,6.64512048891844,0.0,6.64512048891844
BHIE,HD,0.18187867718526163,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
BHSE,HD,0.18187867718526163,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
BHIE,HD1,0.18187867718526163,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
BHSE,HD1,0.18187867718526163,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
BHIE,HD2,0.18187867718526163,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
BHSE,HD2,0.18187867718526163,1.8372877316453269,0.0,0.0,1.8372877316453269,0.0,1.8372877316453269
BHIE,HE1,0.1450315441375368,2.0396208146951516,0.0,0.0,2.0396208146951516,0.0,2.0396208146951516
BHSE,HE1,0.1450315441375368,2.0396208146951516,0.0,0.0,2.0396208146951516,0.0,2.0396208146951516
BHIE,HE2,0.30902640270874004,1.6045828242840143,0.0,0.0,1.6045828242840143,0.0,1.6045828242840143
BHSE,HE2,0.30902640270874004,1.6045828242840143,0.0,0.0,1.6045828242840143,0.0,1.6045828242840143
BHIE,HNE2,0.30902640270874004,1.6045828242840143,0.0,0.0,1.6045828242840143,0.0,1.6045828242840143
BHSE,HNE2,0.30902640270874004,1.6045828242840143,0.0,0.0,1.6045828242840143,0.0,1.6045828242840143
BHIE,NT,-0.3887777257495873,6.976657993266939,0.0,0.0,6.976657993266939,0.0,6.976657993266939
BHSE,NT,-0.3887777257495873,6.976657993266939,0.0,0.0,6.976657993266939,0.0,6.976657993266939
BHIE,HNT,0.2590715565589419,1.2058549545828068,0.0,0.0,1.2058549545828068,0.0,1.2058549545828068
BHSE,HNT,0.2590715565589419,1.2058549545828068,0.0,0.0,1.2058549545828068,0.0,1.2058549545828068
BHIE,CAT,-0.2617090047925637,7.226246605889391,0.0,0.0,7.226246605889391,0.0,7.226246605889391
BHSE,CAT,-0.2617090047925637,7.226246605889391,0.0,0.0,7.226246605889391,0.0,7.226246605889391
BHIE,CH3,-0.2617090047925637,7.226246605889391,0.0,0.0,7.226246605889391,0.0,7.226246605889391
BHSE,CH3,-0.2617090047925637,7.226246605889391,0.0,0.0,7.226246605889391,0.0,7.226246605889391
BHIE,HT,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHSE,HT,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHIE,HT1,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHSE,HT1,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHIE,HT2,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHSE,HT2,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHIE,HT3,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHSE,HT3,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHIE,HH31,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHSE,HH31,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHIE,HH32,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHSE,HH32,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHIE,HH33,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHSE,HH33,0.12485943057283481,1.5712051698746383,0.0,0.0,1.5712051698746383,0.0,1.5712051698746383
BHIS,N,-0.24009451682944769,7.792628540863092,0.0,0.0,7.792628540863092,0.0,7.792628540863092
BHIP,N,-0.24009451682944769,7.792628540863092,0.0,0.0,7.792628540863092,0.0,7.792628540863092
BHSP,N,-0.24009451682944769,7.792628540863092,0.0,0.0,7.792628540863092,0.0,7.792628540863092
BHIS,HN,0.20243034187022008,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
BHIP,HN,0.20243034187022008,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
BHSP,HN,0.20243034187022008,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
BHIS,H,0.20243034187022008,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
BHIP,H,0.20243034187022008,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
BHSP,H,0.20243034187022008,1.326011665284268,0.0,0.0,1.326011665284268,0.0,1.326011665284268
BHIS,CA,-0.07449388672676525,8.4697690127818,0.0,0.0,8.4697690127818,0.0,8.4697690127818
BHIP,CA,-0.07449388672676525,8.4697690127818,0.0,0.0,8.4697690127818,0.0,8.4697690127818
BHSP,CA,-0.07449388672676525,8.4697690127818,0.0,0.0,8.4697690127818,0.0,8.4697690127818
BHIS,HA,0.13534486750654298,1.6476899837837482,0.0,0.0,1.6476899837837482,0.0,1.6476899837837482
BHIP,HA,0.13534486750654298,1.6476899837837482,0.0,0.0,1.6476899837837482,0.0,1.6476899837837482
BHSP,HA,0.13534486750654298,1.6476899837837482,0.0,0.0,1.6476899837837482,0.0,1.6476899837837482
BHIS,CB,-0.3869863677739837,8.119712673328182,0.0,0.0,8.119712673328182,0.0,8.119712673328182
BHIP,CB,-0.3869863677739837,8.119712673328182,0.0,0.0,8.119712673328182,0.0,8.119712673328182
BHSP,CB,-0.3869863677739837,8.119712673328182,0.0,0.0,8.119712673328182,0.0,8.119712673328182
BHIS,C,0.6249285350009735,7.572261379575227,0.0,0.0,7.572261379575227,0.0,7.572261379575227
BHIP,C,0.6249285350009735,7.572261379575227,0.0,0.0,7.572261379575227,0.0,7.572261379575227
BHSP,C,0.6249285350009735,7.572261379575227,0.0,0.0,7.572261379575227,0.0,7.572261379575227
BHIS,HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIP,HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHSP,HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIS,HB1,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIP,HB1,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHSP,HB1,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIS,1HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIP,1HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHSP,1HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIS,HB2,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIP,HB2,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHSP,HB2,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIS,2HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIP,2HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHSP,2HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIS,HB3,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIP,HB3,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHSP,HB3,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIS,3HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIP,3HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHSP,3HB,0.18628252841427803,1.396231123137717,0.0,0.0,1.396231123137717,0.0,1.396231123137717
BHIS,CG,0.1577848764599454,7.968781878493257,0.0,0.0,7.968781878493257,0.0,7.968781878493257
BHIP,CG,0.1577848764599454,7.968781878493257,0.0,0.0,7.968781878493257,0.0,7.968781878493257
BHSP,CG,0.1577848764599454,7.968781878493257,0.0,0.0,7.968781878493257,0.0,7.968781878493257
BHIS,O,-0.49708117721878714,5.208918680542482,0.0,0.0,5.208918680542482,0.0,5.208918680542482
BHIP,O,-0.49708117721878714,5.208918680542482,0.0,0.0,5.208918680542482,0.0,5.208918680542482
BHSP,O,-0.49708117721878714,5.208918680542482,0.0,0.0,5.208918680542482,0.0,5.208918680542482
BHIS,ND,-0.19888187063185817,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
BHIP,ND,-0.19888187063185817,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
BHSP,ND,-0.19888187063185817,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
BHIS,ND1,-0.19888187063185817,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
BHIP,ND1,-0.19888187063185817,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
BHSP,ND1,-0.19888187063185817,5.922047647461186,0.0,0.0,5.922047647461186,0.0,5.922047647461186
BHIS,CD,-0.10988708567784736,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
BHIP,CD,-0.10988708567784736,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
BHSP,CD,-0.10988708567784736,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
BHIS,CD1,-0.10988708567784736,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
BHIP,CD1,-0.10988708567784736,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
BHSP,CD1,-0.10988708567784736,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
BHIS,CD2,-0.10988708567784736,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
BHIP,CD2,-0.10988708567784736,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
BHSP,CD2,-0.10988708567784736,7.623041449771377,0.0,0.0,7.623041449771377,0.0,7.623041449771377
BHIS,HD1,0.3551602424387814,1.118569522192769,0.0,0.0,1.118569522192769,0.0,1.118569522192769
BHIP,HD1,0.3551602424387814,1.118569522192769,0.0,0.0,1.118569522192769,0.0,1.118569522192769
BHSP,HD1,0.3551602424387814,1.118569522192769,0.0,0.0,1.118569522192769,0.0,1.118569522192769
BHIS,CE,0.014487132269538624,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
BHIP,CE,0.014487132269538624,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
BHSP,CE,0.014487132269538624,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
BHIS,CE1,0.014487132269538624,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
BHIP,CE1,0.014487132269538624,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
BHSP,CE1,0.014487132269538624,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
BHIS,CE2,0.014487132269538624,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
BHIP,CE2,0.014487132269538624,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
BHSP,CE2,0.014487132269538624,7.178055094014957,0.0,0.0,7.178055094014957,0.0,7.178055094014957
BHIS,NE,-0.2004874845106327,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
BHIP,NE,-0.2004874845106327,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
BHSP,NE,-0.2004874845106327,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
BHIS,NE2,-0.2004874845106327,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
BHIP,NE2,-0.2004874845106327,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
BHSP,NE2,-0.2004874845106327,5.846166222740964,0.0,0.0,5.846166222740964,0.0,5.846166222740964
BHIS,HD2,0.21762968329215707,1.6630184376546484,0.0,0.0,1.6630184376546484,0.0,1.6630184376546484
BHIP,HD2,0.21762968329215707,1.6630184376546484,0.0,0.0,1.6630184376546484,0.0,1.6630184376546484
BHSP,HD2,0.21762968329215707,1.6630184376546484,0.0,0.0,1.6630184376546484,0.0,1.6630184376546484
BHIS,HE1,0.23556283138495387,1.835959118559748,0.0,0.0,1.835959118559748,0.0,1.835959118559748
BHIP,HE1,0.23556283138495387,1.835959118559748,0.0,0.0,1.835959118559748,0.0,1.835959118559748
BHSP,HE1,0.23556283138495387,1.835959118559748,0.0,0.0,1.835959118559748,0.0,1.835959118559748
BHIS,HE2,0.3850938960399016,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
BHIP,HE2,0.3850938960399016,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
BHSP,HE2,0.3850938960399016,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
BHIS,HNE2,0.3850938960399016,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
BHIP,HNE2,0.3850938960399016,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
BHSP,HNE2,0.3850938960399016,1.384875252727501,0.0,0.0,1.384875252727501,0.0,1.384875252727501
BHIS,NT,-0.4319989332764415,7.041181982858362,0.0,0.0,7.041181982858362,0.0,7.041181982858362
BHIP,NT,-0.4319989332764415,7.041181982858362,0.0,0.0,7.041181982858362,0.0,7.041181982858362
BHSP,NT,-0.4319989332764415,7.041181982858362,0.0,0.0,7.041181982858362,0.0,7.041181982858362
BHIS,HNT,0.2758494141320739,1.1947460571449162,0.0,0.0,1.1947460571449162,0.0,1.1947460571449162
BHIP,HNT,0.2758494141320739,1.1947460571449162,0.0,0.0,1.1947460571449162,0.0,1.1947460571449162
BHSP,HNT,0.2758494141320739,1.1947460571449162,0.0,0.0,1.1947460571449162,0.0,1.1947460571449162
BHIS,CAT,-0.2820749772012584,7.129928945252794,0.0,0.0,7.129928945252794,0.0,7.129928945252794
BHIP,CAT,-0.2820749772012584,7.129928945252794,0.0,0.0,7.129928945252794,0.0,7.129928945252794
BHSP,CAT,-0.2820749772012584,7.129928945252794,0.0,0.0,7.129928945252794,0.0,7.129928945252794
BHIS,CH3,-0.2820749772012584,7.129928945252794,0.0,0.0,7.129928945252794,0.0,7.129928945252794
BHIP,CH3,-0.2820749772012584,7.129928945252794,0.0,0.0,7.129928945252794,0.0,7.129928945252794
BHSP,CH3,-0.2820749772012584,7.129928945252794,0.0,0.0,7.129928945252794,0.0,7.129928945252794
BHIS,HT,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIP,HT,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHSP,HT,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIS,HT1,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIP,HT1,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHSP,HT1,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIS,HT2,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIP,HT2,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHSP,HT2,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIS,HT3,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIP,HT3,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHSP,HT3,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIS,HH31,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIP,HH31,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHSP,HH31,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIS,HH32,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIP,HH32,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHSP,HH32,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIS,HH33,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHIP,HH33,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BHSP,HH33,0.14838314087445917,1.5618327186896908,0.0,0.0,1.5618327186896908,0.0,1.5618327186896908
BILE,N,-0.42496991113986843,7.536723892863522,0.0,0.0,7.536723892863522,0.0,7.536723892863522
BILE,HN,0.25050141676564425,1.3112495636243988,0.0,0.0,1.3112495636243988,0.0,1.3112495636243988
BILE,H,0.25050141676564425,1.3112495636243988,0.0,0.0,1.3112495636243988,0.0,1.3112495636243988
BILE,CA,-0.055113558900103124,8.422329755783029,0.0,0.0,8.422329755783029,0.0,8.422329755783029
BILE,HA,0.10067505066491961,1.7472359722925292,0.0,0.0,1.7472359722925292,0.0,1.7472359722925292
BILE,CB,0.11987916030963802,7.839328125096789,0.0,0.0,7.839328125096789,0.0,7.839328125096789
BILE,C,0.6070939764820746,7.9430113457174,0.0,0.0,7.9430113457174,0.0,7.9430113457174
BILE,HB,0.012811865670212672,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
BILE,HB1,0.012811865670212672,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
BILE,1HB,0.012811865670212672,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
BILE,HB2,0.012811865670212672,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
BILE,2HB,0.012811865670212672,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
BILE,HB3,0.012811865670212672,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
BILE,3HB,0.012811865670212672,1.7548247477513634,0.0,0.0,1.7548247477513634,0.0,1.7548247477513634
BILE,CG2,-0.41615355976529805,7.372886037395849,0.0,0.0,7.372886037395849,0.0,7.372886037395849
BILE,CG1,0.05340940037818104,7.569184422457222,0.0,0.0,7.569184422457222,0.0,7.569184422457222
BILE,O,-0.5237962525737252,5.542703003556753,0.0,0.0,5.542703003556753,0.0,5.542703003556753
BILE,HG2,0.11131769926001778,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
BILE,HG21,0.11131769926001778,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
BILE,1HG2,0.11131769926001778,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
BILE,HG21,0.11131769926001778,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
BILE,HG22,0.11131769926001778,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
BILE,2HG2,0.11131769926001778,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
BILE,HG23,0.11131769926001778,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
BILE,3HG2,0.11131769926001778,1.6235664564151262,0.0,0.0,1.6235664564151262,0.0,1.6235664564151262
BILE,HG1,0.010607211672514164,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
BILE,HG12,0.010607211672514164,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
BILE,1HG1,0.010607211672514164,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
BILE,HG11,0.010607211672514164,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
BILE,HG13,0.010607211672514164,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
BILE,2HG1,0.010607211672514164,1.6951136586663842,0.0,0.0,1.6951136586663842,0.0,1.6951136586663842
BILE,CD,-0.2679095022387417,7.7771352521453725,0.0,0.0,7.7771352521453725,0.0,7.7771352521453725
BILE,CD1,-0.2679095022387417,7.7771352521453725,0.0,0.0,7.7771352521453725,0.0,7.7771352521453725
BILE,CD2,-0.2679095022387417,7.7771352521453725,0.0,0.0,7.7771352521453725,0.0,7.7771352521453725
BILE,HD,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,HD11,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,1HD1,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,HD12,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,2HD1,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,HD13,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,3HD1,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,HD1,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,HD2,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,HD3,0.07069983432701016,1.7153081874601694,0.0,0.0,1.7153081874601694,0.0,1.7153081874601694
BILE,NT,-0.36342488237966164,7.245758553484085,0.0,0.0,7.245758553484085,0.0,7.245758553484085
BILE,HNT,0.24486839596828874,1.2526593011486573,0.0,0.0,1.2526593011486573,0.0,1.2526593011486573
BILE,CAT,-0.3249655304237936,7.515094536546426,0.0,0.0,7.515094536546426,0.0,7.515094536546426
BILE,CH3,-0.3249655304237936,7.515094536546426,0.0,0.0,7.515094536546426,0.0,7.515094536546426
BILE,HT,0.1399423023587069,1.6282883686471545,0.0,0.0,1.6282883686471545,0.0,1.6282883686471545
BILE,HT1,0.1399423023587069,1.6282883686471545,0.0,0.0,1.6282883686471545,0.0,1.6282883686471545
BILE,HT2,0.1399423023587069,1.6282883686471545,0.0,0.0,1.6282883686471545,0.0,1.6282883686471545
BILE,HT3,0.1399423023587069,1.6282883686471545,0.0,0.0,1.6282883686471545,0.0,1.6282883686471545
BILE,HH31,0.1399423023587069,1.6282883686471545,0.0,0.0,1.6282883686471545,0.0,1.6282883686471545
BILE,HH32,0.1399423023587069,1.6282883686471545,0.0,0.0,1.6282883686471545,0.0,1.6282883686471545
BILE,HH33,0.1399423023587069,1.6282883686471545,0.0,0.0,1.6282883686471545,0.0,1.6282883686471545
BLEU,N,-0.39752920155412763,7.507838995137413,0.0,0.0,7.507838995137413,0.0,7.507838995137413
BLEU,HN,0.24699212587757985,1.3785889669867117,0.0,0.0,1.3785889669867117,0.0,1.3785889669867117
BLEU,H,0.24699212587757985,1.3785889669867117,0.0,0.0,1.3785889669867117,0.0,1.3785889669867117
BLEU,CA,-0.03114784703212504,8.476534653722146,0.0,0.0,8.476534653722146,0.0,8.476534653722146
BLEU,HA,0.11165008479504163,1.74784591369081,0.0,0.0,1.74784591369081,0.0,1.74784591369081
BLEU,CB,-0.25909102898861663,7.96412999890499,0.0,0.0,7.96412999890499,0.0,7.96412999890499
BLEU,C,0.5895021374763697,8.216895160792308,0.0,0.0,8.216895160792308,0.0,8.216895160792308
BLEU,HB,0.0692345579081972,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
BLEU,HB1,0.0692345579081972,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
BLEU,1HB,0.0692345579081972,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
BLEU,HB2,0.0692345579081972,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
BLEU,2HB,0.0692345579081972,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
BLEU,HB3,0.0692345579081972,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
BLEU,3HB,0.0692345579081972,1.6944263380044937,0.0,0.0,1.6944263380044937,0.0,1.6944263380044937
BLEU,CG,0.47347065935138105,7.588116658482159,0.0,0.0,7.588116658482159,0.0,7.588116658482159
BLEU,O,-0.5203132319585897,5.67145006903952,0.0,0.0,5.67145006903952,0.0,5.67145006903952
BLEU,HG,-0.055769905358400394,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
BLEU,1HG,-0.055769905358400394,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
BLEU,HG1,-0.055769905358400394,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
BLEU,HG2,-0.055769905358400394,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
BLEU,2HG,-0.055769905358400394,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
BLEU,HG3,-0.055769905358400394,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
BLEU,3HG,-0.055769905358400394,1.9091853896613387,0.0,0.0,1.9091853896613387,0.0,1.9091853896613387
BLEU,CD,-0.4594731833592384,7.637340739705709,0.0,0.0,7.637340739705709,0.0,7.637340739705709
BLEU,CD1,-0.4594731833592384,7.637340739705709,0.0,0.0,7.637340739705709,0.0,7.637340739705709
BLEU,CD2,-0.4594731833592384,7.637340739705709,0.0,0.0,7.637340739705709,0.0,7.637340739705709
BLEU,HD,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,HD11,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,1HD1,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,HD12,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,2HD1,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,HD13,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,3HD1,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,HD21,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,1HD2,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,HD22,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,2HD2,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,HD23,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,3HD2,0.1066685278271166,1.5613852583266878,0.0,0.0,1.5613852583266878,0.0,1.5613852583266878
BLEU,NT,-0.35700195791554545,7.373985103944959,0.0,0.0,7.373985103944959,0.0,7.373985103944959
BLEU,HNT,0.239515123308534,1.2960926925186604,0.0,0.0,1.2960926925186604,0.0,1.2960926925186604
BLEU,CAT,-0.2944491045819506,7.6084973134737375,0.0,0.0,7.6084973134737375,0.0,7.6084973134737375
BLEU,CH3,-0.2944491045819506,7.6084973134737375,0.0,0.0,7.6084973134737375,0.0,7.6084973134737375
BLEU,HT,0.13154607683994404,1.7422798761909317,0.0,0.0,1.7422798761909317,0.0,1.7422798761909317
BLEU,HT1,0.13154607683994404,1.7422798761909317,0.0,0.0,1.7422798761909317,0.0,1.7422798761909317
BLEU,HT2,0.13154607683994404,1.7422798761909317,0.0,0.0,1.7422798761909317,0.0,1.7422798761909317
BLEU,HT3,0.13154607683994404,1.7422798761909317,0.0,0.0,1.7422798761909317,0.0,1.7422798761909317
BLEU,HH31,0.13154607683994404,1.7422798761909317,0.0,0.0,1.7422798761909317,0.0,1.7422798761909317
BLEU,HH32,0.13154607683994404,1.7422798761909317,0.0,0.0,1.7422798761909317,0.0,1.7422798761909317
BLEU,HH33,0.13154607683994404,1.7422798761909317,0.0,0.0,1.7422798761909317,0.0,1.7422798761909317
BLYS,N,-0.2965270323414889,7.475050725597989,0.0,0.0,7.475050725597989,0.0,7.475050725597989
BLYS,HN,0.22199919319098702,1.2998762284846486,0.0,0.0,1.2998762284846486,0.0,1.2998762284846486
BLYS,H,0.22199919319098702,1.2998762284846486,0.0,0.0,1.2998762284846486,0.0,1.2998762284846486
BLYS,CA,-0.08270928468429728,8.500117211695654,0.0,0.0,8.500117211695654,0.0,8.500117211695654
BLYS,HA,0.12365422786635186,1.6415523810643065,0.0,0.0,1.6415523810643065,0.0,1.6415523810643065
BLYS,CB,-0.24439021218002746,8.036199765356914,0.0,0.0,8.036199765356914,0.0,8.036199765356914
BLYS,C,0.6030304200359032,8.220554209651818,0.0,0.0,8.220554209651818,0.0,8.220554209651818
BLYS,HB,0.10769246848109297,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
BLYS,HB1,0.10769246848109297,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
BLYS,1HB,0.10769246848109297,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
BLYS,HB2,0.10769246848109297,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
BLYS,2HB,0.10769246848109297,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
BLYS,HB3,0.10769246848109297,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
BLYS,3HB,0.10769246848109297,1.4021381297110662,0.0,0.0,1.4021381297110662,0.0,1.4021381297110662
BLYS,CG,-0.04051703666377995,7.890720986076869,0.0,0.0,7.890720986076869,0.0,7.890720986076869
BLYS,O,-0.5076999368947742,5.575739835857293,0.0,0.0,5.575739835857293,0.0,5.575739835857293
BLYS,HG,0.06277218913055307,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
BLYS,1HG,0.06277218913055307,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
BLYS,HG1,0.06277218913055307,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
BLYS,HG2,0.06277218913055307,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
BLYS,2HG,0.06277218913055307,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
BLYS,HG3,0.06277218913055307,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
BLYS,3HG,0.06277218913055307,1.4196676110984037,0.0,0.0,1.4196676110984037,0.0,1.4196676110984037
BLYS,CD,-0.19280094554112262,7.764731100956517,0.0,0.0,7.764731100956517,0.0,7.764731100956517
BLYS,HD,0.11517725455813288,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
BLYS,1HD,0.11517725455813288,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
BLYS,HD1,0.11517725455813288,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
BLYS,HD2,0.11517725455813288,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
BLYS,2HD,0.11517725455813288,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
BLYS,HD3,0.11517725455813288,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
BLYS,3HD,0.11517725455813288,1.508399340366993,0.0,0.0,1.508399340366993,0.0,1.508399340366993
BLYS,CE,-0.03776157951776523,7.356869563821167,0.0,0.0,7.356869563821167,0.0,7.356869563821167
BLYS,HE,0.1427914893243219,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
BLYS,HE2,0.1427914893243219,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
BLYS,1HE,0.1427914893243219,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
BLYS,HE1,0.1427914893243219,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
BLYS,HE3,0.1427914893243219,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
BLYS,2HE,0.1427914893243219,1.4486895076417479,0.0,0.0,1.4486895076417479,0.0,1.4486895076417479
BLYS,NZ,-0.5106772822917842,5.394601574405813,0.0,0.0,5.394601574405813,0.0,5.394601574405813
BLYS,HZ,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,HZ1,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,1HZ,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,HNZ1,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,HZ2,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,2HZ,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,HNZ2,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,HZ3,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,3HZ,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,HNZ3,0.36774804356556995,0.8806883927397842,0.0,0.0,0.8806883927397842,0.0,0.8806883927397842
BLYS,NT,-0.38850395325276144,7.310922894196305,0.0,0.0,7.310922894196305,0.0,7.310922894196305
BLYS,HNT,0.2506309494994861,1.2236981309075854,0.0,0.0,1.2236981309075854,0.0,1.2236981309075854
BLYS,CAT,-0.26450645672215056,7.431028956312086,0.0,0.0,7.431028956312086,0.0,7.431028956312086
BLYS,CH3,-0.26450645672215056,7.431028956312086,0.0,0.0,7.431028956312086,0.0,7.431028956312086
BLYS,HT,0.13555599860410406,1.5263612224745242,0.0,0.0,1.5263612224745242,0.0,1.5263612224745242
BLYS,HT1,0.13555599860410406,1.5263612224745242,0.0,0.0,1.5263612224745242,0.0,1.5263612224745242
BLYS,HT2,0.13555599860410406,1.5263612224745242,0.0,0.0,1.5263612224745242,0.0,1.5263612224745242
BLYS,HT3,0.13555599860410406,1.5263612224745242,0.0,0.0,1.5263612224745242,0.0,1.5263612224745242
BLYS,HH31,0.13555599860410406,1.5263612224745242,0.0,0.0,1.5263612224745242,0.0,1.5263612224745242
BLYS,HH32,0.13555599860410406,1.5263612224745242,0.0,0.0,1.5263612224745242,0.0,1.5263612224745242
BLYS,HH33,0.13555599860410406,1.5263612224745242,0.0,0.0,1.5263612224745242,0.0,1.5263612224745242
BMET,N,-0.4100059465313728,7.43904668640771,0.0,0.0,7.43904668640771,0.0,7.43904668640771
BMET,HN,0.24751386348817944,1.2077221683798571,0.0,0.0,1.2077221683798571,0.0,1.2077221683798571
BMET,H,0.24751386348817944,1.2077221683798571,0.0,0.0,1.2077221683798571,0.0,1.2077221683798571
BMET,CA,0.03401096581779964,8.618466013360003,0.0,0.0,8.618466013360003,0.0,8.618466013360003
BMET,HA,0.08980860684085806,1.6310614939163948,0.0,0.0,1.6310614939163948,0.0,1.6310614939163948
BMET,CB,-0.05014754925309363,8.370315549349602,0.0,0.0,8.370315549349602,0.0,8.370315549349602
BMET,C,0.5708631107809619,8.163172763946456,0.0,0.0,8.163172763946456,0.0,8.163172763946456
BMET,HB,0.048852626172996585,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
BMET,HB1,0.048852626172996585,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
BMET,1HB,0.048852626172996585,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
BMET,HB2,0.048852626172996585,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
BMET,2HB,0.048852626172996585,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
BMET,HB3,0.048852626172996585,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
BMET,3HB,0.048852626172996585,1.2367707108437773,0.0,0.0,1.2367707108437773,0.0,1.2367707108437773
BMET,CG,-0.2328477585772423,9.286020158034002,0.0,0.0,9.286020158034002,0.0,9.286020158034002
BMET,O,-0.5146930091670525,5.550409528803714,0.0,0.0,5.550409528803714,0.0,5.550409528803714
BMET,HG,0.1288753743175483,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
BMET,1HG,0.1288753743175483,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
BMET,HG1,0.1288753743175483,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
BMET,HG2,0.1288753743175483,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
BMET,2HG,0.1288753743175483,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
BMET,HG3,0.1288753743175483,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
BMET,3HG,0.1288753743175483,1.4116362441016639,0.0,0.0,1.4116362441016639,0.0,1.4116362441016639
BMET,SD,-0.11895448542642516,18.794523012348396,0.0,0.0,18.794523012348396,0.0,18.794523012348396
BMET,CE,-0.5218440770495226,8.672760372570838,0.0,0.0,8.672760372570838,0.0,8.672760372570838
BMET,HE,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,HE1,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,1HE,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,HE1,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,HE2,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,2HE,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,HE2,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,HE3,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,3HE,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,HE3,0.18991875345565112,1.4547762569966527,0.0,0.0,1.4547762569966527,0.0,1.4547762569966527
BMET,NT,-0.3682435684967591,7.2322620989146245,0.0,0.0,7.2322620989146245,0.0,7.2322620989146245
BMET,HNT,0.24810950538208754,1.1529158338223622,0.0,0.0,1.1529158338223622,0.0,1.1529158338223622
BMET,CAT,-0.315093379908319,7.496821821485171,0.0,0.0,7.496821821485171,0.0,7.496821821485171
BMET,CH3,-0.315093379908319,7.496821821485171,0.0,0.0,7.496821821485171,0.0,7.496821821485171
BMET,HT,0.1387704869172858,1.4698098005228875,0.0,0.0,1.4698098005228875,0.0,1.4698098005228875
BMET,HT1,0.1387704869172858,1.4698098005228875,0.0,0.0,1.4698098005228875,0.0,1.4698098005228875
BMET,HT2,0.1387704869172858,1.4698098005228875,0.0,0.0,1.4698098005228875,0.0,1.4698098005228875
BMET,HT3,0.1387704869172858,1.4698098005228875,0.0,0.0,1.4698098005228875,0.0,1.4698098005228875
BMET,HH31,0.1387704869172858,1.4698098005228875,0.0,0.0,1.4698098005228875,0.0,1.4698098005228875
BMET,HH32,0.1387704869172858,1.4698098005228875,0.0,0.0,1.4698098005228875,0.0,1.4698098005228875
BMET,HH33,0.1387704869172858,1.4698098005228875,0.0,0.0,1.4698098005228875,0.0,1.4698098005228875
BPHE,N,-0.4024122344127359,7.901162510987935,0.0,0.0,7.901162510987935,0.0,7.901162510987935
BPHE,HN,0.25119964534480077,1.3181997100950433,0.0,0.0,1.3181997100950433,0.0,1.3181997100950433
BPHE,H,0.25119964534480077,1.3181997100950433,0.0,0.0,1.3181997100950433,0.0,1.3181997100950433
BPHE,CA,0.02196385444929453,8.359333984120248,0.0,0.0,8.359333984120248,0.0,8.359333984120248
BPHE,HA,0.10468546768351406,1.6117720276955534,0.0,0.0,1.6117720276955534,0.0,1.6117720276955534
BPHE,CB,-0.261258565817386,8.411188484727395,0.0,0.0,8.411188484727395,0.0,8.411188484727395
BPHE,C,0.5448406173093444,7.573259096429438,0.0,0.0,7.573259096429438,0.0,7.573259096429438
BPHE,HB,0.09141418386326047,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
BPHE,HB1,0.09141418386326047,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
BPHE,1HB,0.09141418386326047,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
BPHE,HB2,0.09141418386326047,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
BPHE,2HB,0.09141418386326047,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
BPHE,HB3,0.09141418386326047,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
BPHE,3HB,0.09141418386326047,1.444995748306992,0.0,0.0,1.444995748306992,0.0,1.444995748306992
BPHE,CG,0.16002655391693002,8.99928117770148,0.0,0.0,8.99928117770148,0.0,8.99928117770148
BPHE,O,-0.49219008501843736,5.229977218781539,0.0,0.0,5.229977218781539,0.0,5.229977218781539
BPHE,CD,-0.16609185907738996,8.750186174103158,0.0,0.0,8.750186174103158,0.0,8.750186174103158
BPHE,CD1,-0.16609185907738996,8.750186174103158,0.0,0.0,8.750186174103158,0.0,8.750186174103158
BPHE,CD2,-0.16609185907738996,8.750186174103158,0.0,0.0,8.750186174103158,0.0,8.750186174103158
BPHE,HD,0.13323738985186717,1.601686587720048,0.0,0.0,1.601686587720048,0.0,1.601686587720048
BPHE,HD1,0.13323738985186717,1.601686587720048,0.0,0.0,1.601686587720048,0.0,1.601686587720048
BPHE,HD2,0.13323738985186717,1.601686587720048,0.0,0.0,1.601686587720048,0.0,1.601686587720048
BPHE,CE,-0.1707470466214361,8.869010645383634,0.0,0.0,8.869010645383634,0.0,8.869010645383634
BPHE,CE1,-0.1707470466214361,8.869010645383634,0.0,0.0,8.869010645383634,0.0,8.869010645383634
BPHE,CE2,-0.1707470466214361,8.869010645383634,0.0,0.0,8.869010645383634,0.0,8.869010645383634
BPHE,HE,0.13965338837282554,1.9281835953720057,0.0,0.0,1.9281835953720057,0.0,1.9281835953720057
BPHE,HE1,0.13965338837282554,1.9281835953720057,0.0,0.0,1.9281835953720057,0.0,1.9281835953720057
BPHE,HE2,0.13965338837282554,1.9281835953720057,0.0,0.0,1.9281835953720057,0.0,1.9281835953720057
BPHE,CZ,-0.09962777804899739,8.91201343237506,0.0,0.0,8.91201343237506,0.0,8.91201343237506
BPHE,HZ,0.1243773321082077,2.2217314991501995,0.0,0.0,2.2217314991501995,0.0,2.2217314991501995
BPHE,NT,-0.365036523271347,7.026467018663349,0.0,0.0,7.026467018663349,0.0,7.026467018663349
BPHE,HNT,0.25630994542563995,1.2099243336500014,0.0,0.0,1.2099243336500014,0.0,1.2099243336500014
BPHE,CAT,-0.3106764403473705,7.329183213376583,0.0,0.0,7.329183213376583,0.0,7.329183213376583
BPHE,CH3,-0.3106764403473705,7.329183213376583,0.0,0.0,7.329183213376583,0.0,7.329183213376583
BPHE,HT,0.13762203263342948,1.5646648389150428,0.0,0.0,1.5646648389150428,0.0,1.5646648389150428
BPHE,HT1,0.13762203263342948,1.5646648389150428,0.0,0.0,1.5646648389150428,0.0,1.5646648389150428
BPHE,HT2,0.13762203263342948,1.5646648389150428,0.0,0.0,1.5646648389150428,0.0,1.5646648389150428
BPHE,HT3,0.13762203263342948,1.5646648389150428,0.0,0.0,1.5646648389150428,0.0,1.5646648389150428
BPHE,HH31,0.13762203263342948,1.5646648389150428,0.0,0.0,1.5646648389150428,0.0,1.5646648389150428
BPHE,HH32,0.13762203263342948,1.5646648389150428,0.0,0.0,1.5646648389150428,0.0,1.5646648389150428
BPHE,HH33,0.13762203263342948,1.5646648389150428,0.0,0.0,1.5646648389150428,0.0,1.5646648389150428
BPRO,N,-0.18945385335655934,7.797054066477687,0.0,0.0,7.797054066477687,0.0,7.797054066477687
BPRO,CD,-0.07105339830942546,6.795529885069637,0.0,0.0,6.795529885069637,0.0,6.795529885069637
BPRO,CA,-0.04027365987802469,7.589005454771879,0.0,0.0,7.589005454771879,0.0,7.589005454771879
BPRO,HD,0.05992393913578497,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
BPRO,HD2,0.05992393913578497,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
BPRO,1HD,0.05992393913578497,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
BPRO,HD2,0.05992393913578497,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
BPRO,HD3,0.05992393913578497,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
BPRO,2HD,0.05992393913578497,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
BPRO,HD1,0.05992393913578497,1.70839159358842,0.0,0.0,1.70839159358842,0.0,1.70839159358842
BPRO,CG,-0.011955247781807826,7.006546568497221,0.0,0.0,7.006546568497221,0.0,7.006546568497221
BPRO,CB,-0.1444247662800029,7.011185380275185,0.0,0.0,7.011185380275185,0.0,7.011185380275185
BPRO,HA,0.07109397992009166,1.7823165390129505,0.0,0.0,1.7823165390129505,0.0,1.7823165390129505
BPRO,C,0.5682446663488483,8.129668214427543,0.0,0.0,8.129668214427543,0.0,8.129668214427543
BPRO,HG,0.04530716633098054,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
BPRO,1HG,0.04530716633098054,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
BPRO,HG1,0.04530716633098054,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
BPRO,HG2,0.04530716633098054,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
BPRO,2HG,0.04530716633098054,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
BPRO,HG3,0.04530716633098054,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
BPRO,3HG,0.04530716633098054,1.8536674377093987,0.0,0.0,1.8536674377093987,0.0,1.8536674377093987
BPRO,HB,0.0661997918011993,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
BPRO,HB1,0.0661997918011993,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
BPRO,1HB,0.0661997918011993,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
BPRO,HB2,0.0661997918011993,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
BPRO,2HB,0.0661997918011993,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
BPRO,HB3,0.0661997918011993,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
BPRO,3HB,0.0661997918011993,1.772425301912481,0.0,0.0,1.772425301912481,0.0,1.772425301912481
BPRO,O,-0.5062776053583774,5.7022394708300155,0.0,0.0,5.7022394708300155,0.0,5.7022394708300155
BPRO,NT,-0.38141194571499826,7.514563155733881,0.0,0.0,7.514563155733881,0.0,7.514563155733881
BPRO,HNT,0.25832503415864105,1.3669748237635124,0.0,0.0,1.3669748237635124,0.0,1.3669748237635124
BPRO,CAT,-0.30320136541514564,7.205308154449261,0.0,0.0,7.205308154449261,0.0,7.205308154449261
BPRO,CH3,-0.30320136541514564,7.205308154449261,0.0,0.0,7.205308154449261,0.0,7.205308154449261
BPRO,HT,0.13584212237694362,1.6712792235160985,0.0,0.0,1.6712792235160985,0.0,1.6712792235160985
BPRO,HT1,0.13584212237694362,1.6712792235160985,0.0,0.0,1.6712792235160985,0.0,1.6712792235160985
BPRO,HT2,0.13584212237694362,1.6712792235160985,0.0,0.0,1.6712792235160985,0.0,1.6712792235160985
BPRO,HT3,0.13584212237694362,1.6712792235160985,0.0,0.0,1.6712792235160985,0.0,1.6712792235160985
BPRO,HH31,0.13584212237694362,1.6712792235160985,0.0,0.0,1.6712792235160985,0.0,1.6712792235160985
BPRO,HH32,0.13584212237694362,1.6712792235160985,0.0,0.0,1.6712792235160985,0.0,1.6712792235160985
BPRO,HH33,0.13584212237694362,1.6712792235160985,0.0,0.0,1.6712792235160985,0.0,1.6712792235160985
BSER,N,-0.36751735183059075,7.4278548441323995,0.0,0.0,7.4278548441323995,0.0,7.4278548441323995
BSER,HN,0.25154873642260656,1.2607303983764127,0.0,0.0,1.2607303983764127,0.0,1.2607303983764127
BSER,H,0.25154873642260656,1.2607303983764127,0.0,0.0,1.2607303983764127,0.0,1.2607303983764127
BSER,CA,-0.08219666215055794,8.306366730654961,0.0,0.0,8.306366730654961,0.0,8.306366730654961
BSER,HA,0.1244104417711044,1.8188782903204679,0.0,0.0,1.8188782903204679,0.0,1.8188782903204679
BSER,CB,0.09081371495639183,7.312876252212511,0.0,0.0,7.312876252212511,0.0,7.312876252212511
BSER,C,0.5515157612407448,8.01390129179528,0.0,0.0,8.01390129179528,0.0,8.01390129179528
BSER,HB,0.036831487690882576,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
BSER,HB1,0.036831487690882576,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
BSER,1HB,0.036831487690882576,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
BSER,HB2,0.036831487690882576,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
BSER,2HB,0.036831487690882576,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
BSER,HB3,0.036831487690882576,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
BSER,3HB,0.036831487690882576,1.675882545039486,0.0,0.0,1.675882545039486,0.0,1.675882545039486
BSER,OG,-0.5304474986565025,5.597531580414992,0.0,0.0,5.597531580414992,0.0,5.597531580414992
BSER,O,-0.4915568029340104,5.637518010644385,0.0,0.0,5.637518010644385,0.0,5.637518010644385
BSER,HG,0.3750209671907184,1.4688668347205502,0.0,0.0,1.4688668347205502,0.0,1.4688668347205502
BSER,HG1,0.3750209671907184,1.4688668347205502,0.0,0.0,1.4688668347205502,0.0,1.4688668347205502
BSER,NT,-0.3641747112760968,7.213220289763438,0.0,0.0,7.213220289763438,0.0,7.213220289763438
BSER,HNT,0.2584396715850743,1.2104185600214084,0.0,0.0,1.2104185600214084,0.0,1.2104185600214084
BSER,CAT,-0.26870020011102624,7.4473196708251965,0.0,0.0,7.4473196708251965,0.0,7.4473196708251965
BSER,CH3,-0.26870020011102624,7.4473196708251965,0.0,0.0,7.4473196708251965,0.0,7.4473196708251965
BSER,HT,0.1263936528034597,1.5766175739504094,0.0,0.0,1.5766175739504094,0.0,1.5766175739504094
BSER,HT1,0.1263936528034597,1.5766175739504094,0.0,0.0,1.5766175739504094,0.0,1.5766175739504094
BSER,HT2,0.1263936528034597,1.5766175739504094,0.0,0.0,1.5766175739504094,0.0,1.5766175739504094
BSER,HT3,0.1263936528034597,1.5766175739504094,0.0,0.0,1.5766175739504094,0.0,1.5766175739504094
BSER,HH31,0.1263936528034597,1.5766175739504094,0.0,0.0,1.5766175739504094,0.0,1.5766175739504094
BSER,HH32,0.1263936528034597,1.5766175739504094,0.0,0.0,1.5766175739504094,0.0,1.5766175739504094
BSER,HH33,0.1263936528034597,1.5766175739504094,0.0,0.0,1.5766175739504094,0.0,1.5766175739504094
BTHR,N,-0.38802365496913604,7.541280795915602,0.0,0.0,7.541280795915602,0.0,7.541280795915602
BTHR,HN,0.2523137254338561,1.2375095797579811,0.0,0.0,1.2375095797579811,0.0,1.2375095797579811
BTHR,H,0.2523137254338561,1.2375095797579811,0.0,0.0,1.2375095797579811,0.0,1.2375095797579811
BTHR,CA,-0.04426508594311768,8.410077280409416,0.0,0.0,8.410077280409416,0.0,8.410077280409416
BTHR,HA,0.10917964390301478,1.7895723856607515,0.0,0.0,1.7895723856607515,0.0,1.7895723856607515
BTHR,CB,0.32684430659260105,7.4421878803696595,0.0,0.0,7.4421878803696595,0.0,7.4421878803696595
BTHR,C,0.5509933085548019,7.89234434222432,0.0,0.0,7.89234434222432,0.0,7.89234434222432
BTHR,HB,-0.016570867152326505,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
BTHR,HB1,-0.016570867152326505,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
BTHR,1HB,-0.016570867152326505,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
BTHR,HB2,-0.016570867152326505,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
BTHR,2HB,-0.016570867152326505,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
BTHR,HB3,-0.016570867152326505,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
BTHR,3HB,-0.016570867152326505,1.8421494586539249,0.0,0.0,1.8421494586539249,0.0,1.8421494586539249
BTHR,CG,-0.4171754076129906,7.617302736162917,0.0,0.0,7.617302736162917,0.0,7.617302736162917
BTHR,CG2,-0.4171754076129906,7.617302736162917,0.0,0.0,7.617302736162917,0.0,7.617302736162917
BTHR,OG,-0.5915443990169686,5.557847777722588,0.0,0.0,5.557847777722588,0.0,5.557847777722588
BTHR,OG1,-0.5915443990169686,5.557847777722588,0.0,0.0,5.557847777722588,0.0,5.557847777722588
BTHR,O,-0.4980977947628079,5.525600135996739,0.0,0.0,5.525600135996739,0.0,5.525600135996739
BTHR,HG2,0.11364538665727286,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
BTHR,HG21,0.11364538665727286,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
BTHR,1HG2,0.11364538665727286,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
BTHR,HG22,0.11364538665727286,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
BTHR,2HG2,0.11364538665727286,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
BTHR,HG23,0.11364538665727286,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
BTHR,3HG2,0.11364538665727286,1.669554667369701,0.0,0.0,1.669554667369701,0.0,1.669554667369701
BTHR,HG1,0.3799599851134409,1.4775915146787537,0.0,0.0,1.4775915146787537,0.0,1.4775915146787537
BTHR,HG1,0.3799599851134409,1.4775915146787537,0.0,0.0,1.4775915146787537,0.0,1.4775915146787537
BTHR,HOG1,0.3799599851134409,1.4775915146787537,0.0,0.0,1.4775915146787537,0.0,1.4775915146787537
BTHR,NT,-0.3635078782074243,7.189298603516682,0.0,0.0,7.189298603516682,0.0,7.189298603516682
BTHR,HNT,0.2553667497713321,1.2049549273656872,0.0,0.0,1.2049549273656872,0.0,1.2049549273656872
BTHR,CAT,-0.30048936705573787,7.4477495863256875,0.0,0.0,7.4477495863256875,0.0,7.4477495863256875
BTHR,CH3,-0.30048936705573787,7.4477495863256875,0.0,0.0,7.4477495863256875,0.0,7.4477495863256875
BTHR,HT,0.134693525126548,1.6077847966961067,0.0,0.0,1.6077847966961067,0.0,1.6077847966961067
BTHR,HT1,0.134693525126548,1.6077847966961067,0.0,0.0,1.6077847966961067,0.0,1.6077847966961067
BTHR,HT2,0.134693525126548,1.6077847966961067,0.0,0.0,1.6077847966961067,0.0,1.6077847966961067
BTHR,HT3,0.134693525126548,1.6077847966961067,0.0,0.0,1.6077847966961067,0.0,1.6077847966961067
BTHR,HH31,0.134693525126548,1.6077847966961067,0.0,0.0,1.6077847966961067,0.0,1.6077847966961067
BTHR,HH32,0.134693525126548,1.6077847966961067,0.0,0.0,1.6077847966961067,0.0,1.6077847966961067
BTHR,HH33,0.134693525126548,1.6077847966961067,0.0,0.0,1.6077847966961067,0.0,1.6077847966961067
BTRP,N,-0.4066791336240861,7.85708928771035,0.0,0.0,7.85708928771035,0.0,7.85708928771035
BTRP,HN,0.2512394717300278,1.206686981548311,0.0,0.0,1.206686981548311,0.0,1.206686981548311
BTRP,H,0.2512394717300278,1.206686981548311,0.0,0.0,1.206686981548311,0.0,1.206686981548311
BTRP,CA,0.024924436283125434,8.265997104424548,0.0,0.0,8.265997104424548,0.0,8.265997104424548
BTRP,HA,0.10698147689606347,1.5151377245878366,0.0,0.0,1.5151377245878366,0.0,1.5151377245878366
BTRP,CB,-0.27912823032991346,8.262676333814516,0.0,0.0,8.262676333814516,0.0,8.262676333814516
BTRP,C,0.5444083377371906,7.298215233708281,0.0,0.0,7.298215233708281,0.0,7.298215233708281
BTRP,HB,0.10735452788630998,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
BTRP,HB1,0.10735452788630998,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
BTRP,1HB,0.10735452788630998,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
BTRP,HB2,0.10735452788630998,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
BTRP,2HB,0.10735452788630998,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
BTRP,HB3,0.10735452788630998,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
BTRP,3HB,0.10735452788630998,1.1844197493289974,0.0,0.0,1.1844197493289974,0.0,1.1844197493289974
BTRP,CG,0.0010009733181828618,9.435368086795512,0.0,0.0,9.435368086795512,0.0,9.435368086795512
BTRP,O,-0.4915788170417255,5.128355232557901,0.0,0.0,5.128355232557901,0.0,5.128355232557901
BTRP,CD1,-0.19780411639771506,9.084637613519527,0.0,0.0,9.084637613519527,0.0,9.084637613519527
BTRP,CD2,0.11805301822884659,9.296390859379413,0.0,0.0,9.296390859379413,0.0,9.296390859379413
BTRP,HD,0.19009383846721012,1.9083030017460136,0.0,0.0,1.9083030017460136,0.0,1.9083030017460136
BTRP,HD1,0.19009383846721012,1.9083030017460136,0.0,0.0,1.9083030017460136,0.0,1.9083030017460136
BTRP,NE,-0.39051794620791747,7.168734220593909,0.0,0.0,7.168734220593909,0.0,7.168734220593909
BTRP,NE1,-0.39051794620791747,7.168734220593909,0.0,0.0,7.168734220593909,0.0,7.168734220593909
BTRP,CE2,0.18881681567623962,9.29942264879121,0.0,0.0,9.29942264879121,0.0,9.29942264879121
BTRP,CE3,-0.21695372342608815,9.213092566163251,0.0,0.0,9.213092566163251,0.0,9.213092566163251
BTRP,HE1,0.35226056270994466,1.4200726551017033,0.0,0.0,1.4200726551017033,0.0,1.4200726551017033
BTRP,CZ2,-0.2567254103864832,9.706311404059639,0.0,0.0,9.706311404059639,0.0,9.706311404059639
BTRP,CZ3,-0.18273312547072942,9.392474760641567,0.0,0.0,9.392474760641567,0.0,9.392474760641567
BTRP,HE3,0.1502300488289714,1.698385195326661,0.0,0.0,1.698385195326661,0.0,1.698385195326661
BTRP,HZ2,0.15313821128384283,2.061328324274598,0.0,0.0,2.061328324274598,0.0,2.061328324274598
BTRP,CH2,-0.1481600917769655,9.23567270765166,0.0,0.0,9.23567270765166,0.0,9.23567270765166
BTRP,HZ3,0.14175770297492735,2.0685265677626177,0.0,0.0,2.0685265677626177,0.0,2.0685265677626177
BTRP,HH2,0.14173868788297964,2.2158406442902385,0.0,0.0,2.2158406442902385,0.0,2.2158406442902385
BTRP,NT,-0.36521082327649657,6.696623757739965,0.0,0.0,6.696623757739965,0.0,6.696623757739965
BTRP,HNT,0.2515845930969037,1.1694069715917184,0.0,0.0,1.1694069715917184,0.0,1.1694069715917184
BTRP,CAT,-0.2875677002867814,7.209011301456443,0.0,0.0,7.209011301456443,0.0,7.209011301456443
BTRP,CH3,-0.2875677002867814,7.209011301456443,0.0,0.0,7.209011301456443,0.0,7.209011301456443
BTRP,HT,0.1307072957792753,1.6081832732892722,0.0,0.0,1.6081832732892722,0.0,1.6081832732892722
BTRP,HT1,0.1307072957792753,1.6081832732892722,0.0,0.0,1.6081832732892722,0.0,1.6081832732892722
BTRP,HT2,0.1307072957792753,1.6081832732892722,0.0,0.0,1.6081832732892722,0.0,1.6081832732892722
BTRP,HT3,0.1307072957792753,1.6081832732892722,0.0,0.0,1.6081832732892722,0.0,1.6081832732892722
BTRP,HH31,0.1307072957792753,1.6081832732892722,0.0,0.0,1.6081832732892722,0.0,1.6081832732892722
BTRP,HH32,0.1307072957792753,1.6081832732892722,0.0,0.0,1.6081832732892722,0.0,1.6081832732892722
BTRP,HH33,0.1307072957792753,1.6081832732892722,0.0,0.0,1.6081832732892722,0.0,1.6081832732892722
BTYR,N,-0.4005065794826663,7.928695973148368,0.0,0.0,7.928695973148368,0.0,7.928695973148368
BTYR,HN,0.24669710480775273,1.2934687157483744,0.0,0.0,1.2934687157483744,0.0,1.2934687157483744
BTYR,H,0.24669710480775273,1.2934687157483744,0.0,0.0,1.2934687157483744,0.0,1.2934687157483744
BTYR,CA,0.011378406022539382,8.399410673852984,0.0,0.0,8.399410673852984,0.0,8.399410673852984
BTYR,HA,0.10414089413743004,1.582595843125193,0.0,0.0,1.582595843125193,0.0,1.582595843125193
BTYR,CB,-0.23542420910899683,8.515404320202478,0.0,0.0,8.515404320202478,0.0,8.515404320202478
BTYR,C,0.5477746555829449,7.561223186163966,0.0,0.0,7.561223186163966,0.0,7.561223186163966
BTYR,HB,0.08718809219435135,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
BTYR,HB1,0.08718809219435135,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
BTYR,1HB,0.08718809219435135,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
BTYR,HB2,0.08718809219435135,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
BTYR,2HB,0.08718809219435135,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
BTYR,HB3,0.08718809219435135,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
BTYR,3HB,0.08718809219435135,1.3839181254230797,0.0,0.0,1.3839181254230797,0.0,1.3839181254230797
BTYR,CG,0.13856460328064682,9.196512020711815,0.0,0.0,9.196512020711815,0.0,9.196512020711815
BTYR,O,-0.49272572727012987,5.208395033587364,0.0,0.0,5.208395033587364,0.0,5.208395033587364
BTYR,CD,-0.1958819792426995,8.794895720119056,0.0,0.0,8.794895720119056,0.0,8.794895720119056
BTYR,CD1,-0.1958819792426995,8.794895720119056,0.0,0.0,8.794895720119056,0.0,8.794895720119056
BTYR,CD2,-0.1958819792426995,8.794895720119056,0.0,0.0,8.794895720119056,0.0,8.794895720119056
BTYR,HD,0.15320852046893732,1.5410582669405757,0.0,0.0,1.5410582669405757,0.0,1.5410582669405757
BTYR,HD1,0.15320852046893732,1.5410582669405757,0.0,0.0,1.5410582669405757,0.0,1.5410582669405757
BTYR,HD2,0.15320852046893732,1.5410582669405757,0.0,0.0,1.5410582669405757,0.0,1.5410582669405757
BTYR,CE,-0.2682376540580469,9.106792072124994,0.0,0.0,9.106792072124994,0.0,9.106792072124994
BTYR,CE1,-0.2682376540580469,9.106792072124994,0.0,0.0,9.106792072124994,0.0,9.106792072124994
BTYR,CE2,-0.2682376540580469,9.106792072124994,0.0,0.0,9.106792072124994,0.0,9.106792072124994
BTYR,HE,0.17259888221882158,1.8559840895646684,0.0,0.0,1.8559840895646684,0.0,1.8559840895646684
BTYR,HE1,0.17259888221882158,1.8559840895646684,0.0,0.0,1.8559840895646684,0.0,1.8559840895646684
BTYR,HE2,0.17259888221882158,1.8559840895646684,0.0,0.0,1.8559840895646684,0.0,1.8559840895646684
BTYR,CZ,0.3183612179476535,8.701881864915618,0.0,0.0,8.701881864915618,0.0,8.701881864915618
BTYR,OH,-0.46794411164186334,6.014532023305496,0.0,0.0,6.014532023305496,0.0,6.014532023305496
BTYR,HH,0.3387235767548018,1.207690739483235,0.0,0.0,1.207690739483235,0.0,1.207690739483235
BTYR,NT,-0.36398084745337544,7.019745560729748,0.0,0.0,7.019745560729748,0.0,7.019745560729748
BTYR,HNT,0.2563248356911786,1.1893099972506596,0.0,0.0,1.1893099972506596,0.0,1.1893099972506596
BTYR,CAT,-0.3146028304602346,7.321658671518762,0.0,0.0,7.321658671518762,0.0,7.321658671518762
BTYR,CH3,-0.3146028304602346,7.321658671518762,0.0,0.0,7.321658671518762,0.0,7.321658671518762
BTYR,HT,0.13848909600986364,1.5381682774768943,0.0,0.0,1.5381682774768943,0.0,1.5381682774768943
BTYR,HT1,0.13848909600986364,1.5381682774768943,0.0,0.0,1.5381682774768943,0.0,1.5381682774768943
BTYR,HT2,0.13848909600986364,1.5381682774768943,0.0,0.0,1.5381682774768943,0.0,1.5381682774768943
BTYR,HT3,0.13848909600986364,1.5381682774768943,0.0,0.0,1.5381682774768943,0.0,1.5381682774768943
BTYR,HH31,0.13848909600986364,1.5381682774768943,0.0,0.0,1.5381682774768943,0.0,1.5381682774768943
BTYR,HH32,0.13848909600986364,1.5381682774768943,0.0,0.0,1.5381682774768943,0.0,1.5381682774768943
BTYR,HH33,0.13848909600986364,1.5381682774768943,0.0,0.0,1.5381682774768943,0.0,1.5381682774768943
BVAL,N,-0.4133228831880628,7.52480300543951,0.0,0.0,7.52480300543951,0.0,7.52480300543951
BVAL,HN,0.25296255580165444,1.3987282537100691,0.0,0.0,1.3987282537100691,0.0,1.3987282537100691
BVAL,H,0.25296255580165444,1.3987282537100691,0.0,0.0,1.3987282537100691,0.0,1.3987282537100691
BVAL,CA,-0.10269654428382545,8.380429659929318,0.0,0.0,8.380429659929318,0.0,8.380429659929318
BVAL,HA,0.10924455326080572,1.8283530759091493,0.0,0.0,1.8283530759091493,0.0,1.8283530759091493
BVAL,CB,0.3401604487823179,7.7091672690830615,0.0,0.0,7.7091672690830615,0.0,7.7091672690830615
BVAL,C,0.6048414141976733,8.01535451926458,0.0,0.0,8.01535451926458,0.0,8.01535451926458
BVAL,HB,-0.023147175026383797,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
BVAL,HB1,-0.023147175026383797,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
BVAL,1HB,-0.023147175026383797,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
BVAL,HB2,-0.023147175026383797,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
BVAL,2HB,-0.023147175026383797,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
BVAL,HB3,-0.023147175026383797,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
BVAL,3HB,-0.023147175026383797,1.8781580318378865,0.0,0.0,1.8781580318378865,0.0,1.8781580318378865
BVAL,CG,-0.4475946441034777,7.574580391302333,0.0,0.0,7.574580391302333,0.0,7.574580391302333
BVAL,CG1,-0.4475946441034777,7.574580391302333,0.0,0.0,7.574580391302333,0.0,7.574580391302333
BVAL,CG2,-0.4475946441034777,7.574580391302333,0.0,0.0,7.574580391302333,0.0,7.574580391302333
BVAL,O,-0.5230624276131114,5.579443179259817,0.0,0.0,5.579443179259817,0.0,5.579443179259817
BVAL,HG,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,HG11,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,1HG1,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,HG21,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,HG12,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,2HG1,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,HG22,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,HG13,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,3HG1,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,HG23,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,HG21,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,1HG2,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,HG22,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,2HG2,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,HG23,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,3HG2,0.11264035839028005,1.5889835891159791,0.0,0.0,1.5889835891159791,0.0,1.5889835891159791
BVAL,NT,-0.38566812573023684,7.314291082404925,0.0,0.0,7.314291082404925,0.0,7.314291082404925
BVAL,HNT,0.2544795996972656,1.3119466231190064,0.0,0.0,1.3119466231190064,0.0,1.3119466231190064
BVAL,CAT,-0.30243793833965876,7.553034565958832,0.0,0.0,7.553034565958832,0.0,7.553034565958832
BVAL,CH3,-0.30243793833965876,7.553034565958832,0.0,0.0,7.553034565958832,0.0,7.553034565958832
BVAL,HT,0.13599788676894567,1.7606121246819586,0.0,0.0,1.7606121246819586,0.0,1.7606121246819586
BVAL,HT1,0.13599788676894567,1.7606121246819586,0.0,0.0,1.7606121246819586,0.0,1.7606121246819586
BVAL,HT2,0.13599788676894567,1.7606121246819586,0.0,0.0,1.7606121246819586,0.0,1.7606121246819586
BVAL,HT3,0.13599788676894567,1.7606121246819586,0.0,0.0,1.7606121246819586,0.0,1.7606121246819586
BVAL,HH31,0.13599788676894567,1.7606121246819586,0.0,0.0,1.7606121246819586,0.0,1.7606121246819586
BVAL,HH32,0.13599788676894567,1.7606121246819586,0.0,0.0,1.7606121246819586,0.0,1.7606121246819586
BVAL,HH33,0.13599788676894567,1.7606121246819586,0.0,0.0,1.7606121246819586,0.0,1.7606121246819586
BASH,N,-0.3486023184991193,7.325610966803433,0.0,0.0,7.325610966803433,0.0,7.325610966803433
BASH,HN,0.2434491118286082,1.3032280186390743,0.0,0.0,1.3032280186390743,0.0,1.3032280186390743
BASH,H,0.2434491118286082,1.3032280186390743,0.0,0.0,1.3032280186390743,0.0,1.3032280186390743
BASH,CA,-0.06967479334659081,8.200879938178899,0.0,0.0,8.200879938178899,0.0,8.200879938178899
BASH,HA,0.12907524739514992,1.6284327928630524,0.0,0.0,1.6284327928630524,0.0,1.6284327928630524
BASH,CB,-0.29757262788130373,7.86402279233285,0.0,0.0,7.86402279233285,0.0,7.86402279233285
BASH,C,0.587581509338066,8.067702597234243,0.0,0.0,8.067702597234243,0.0,8.067702597234243
BASH,HB,0.13071242847014233,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
BASH,HB1,0.13071242847014233,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
BASH,1HB,0.13071242847014233,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
BASH,HB2,0.13071242847014233,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
BASH,2HB,0.13071242847014233,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
BASH,HB3,0.13071242847014233,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
BASH,3HB,0.13071242847014233,1.4036426237697563,0.0,0.0,1.4036426237697563,0.0,1.4036426237697563
BASH,CG,0.6755080372367238,7.387970443724187,0.0,0.0,7.387970443724187,0.0,7.387970443724187
BASH,O,-0.5066533960713179,5.619379485700723,0.0,0.0,5.619379485700723,0.0,5.619379485700723
BASH,OD1,-0.49950573466310516,5.267590349879825,0.0,0.0,5.267590349879825,0.0,5.267590349879825
BASH,OD2,-0.5786942909584989,5.789297469976468,0.0,0.0,5.789297469976468,0.0,5.789297469976468
BASH,HD,0.4132488013987518,1.4772915630538763,0.0,0.0,1.4772915630538763,0.0,1.4772915630538763
BASH,HD2,0.4132488013987518,1.4772915630538763,0.0,0.0,1.4772915630538763,0.0,1.4772915630538763
BASH,HD1,0.4132488013987518,1.4772915630538763,0.0,0.0,1.4772915630538763,0.0,1.4772915630538763
BASH,NT,-0.38022500221669886,7.2346264130164615,0.0,0.0,7.2346264130164615,0.0,7.2346264130164615
BASH,HNT,0.25823957644159334,1.1777310561543135,0.0,0.0,1.1777310561543135,0.0,1.1777310561543135
BASH,CAT,-0.29054043229268367,7.4745373877968415,0.0,0.0,7.4745373877968415,0.0,7.4745373877968415
BASH,CH3,-0.29054043229268367,7.4745373877968415,0.0,0.0,7.4745373877968415,0.0,7.4745373877968415
BASH,HT,0.13431381845004686,1.5220503601911284,0.0,0.0,1.5220503601911284,0.0,1.5220503601911284
BASH,HT1,0.13431381845004686,1.5220503601911284,0.0,0.0,1.5220503601911284,0.0,1.5220503601911284
BASH,HT2,0.13431381845004686,1.5220503601911284,0.0,0.0,1.5220503601911284,0.0,1.5220503601911284
BASH,HT3,0.13431381845004686,1.5220503601911284,0.0,0.0,1.5220503601911284,0.0,1.5220503601911284
BASH,HH31,0.13431381845004686,1.5220503601911284,0.0,0.0,1.5220503601911284,0.0,1.5220503601911284
BASH,HH32,0.13431381845004686,1.5220503601911284,0.0,0.0,1.5220503601911284,0.0,1.5220503601911284
BASH,HH33,0.13431381845004686,1.5220503601911284,0.0,0.0,1.5220503601911284,0.0,1.5220503601911284
BCYD,N,-0.608163349865494,8.577744573296496,0.0,0.0,8.577744573296496,0.0,8.577744573296496
BCYM,N,-0.608163349865494,8.577744573296496,0.0,0.0,8.577744573296496,0.0,8.577744573296496
BCYD,HN,0.30489351670958836,0.8991992610248579,0.0,0.0,0.8991992610248579,0.0,0.8991992610248579
BCYM,HN,0.30489351670958836,0.8991992610248579,0.0,0.0,0.8991992610248579,0.0,0.8991992610248579
BCYD,H,0.30489351670958836,0.8991992610248579,0.0,0.0,0.8991992610248579,0.0,0.8991992610248579
BCYM,H,0.30489351670958836,0.8991992610248579,0.0,0.0,0.8991992610248579,0.0,0.8991992610248579
BCYD,CA,0.13496816325885322,12.47152472183863,0.0,0.0,12.47152472183863,0.0,12.47152472183863
BCYM,CA,0.13496816325885322,12.47152472183863,0.0,0.0,12.47152472183863,0.0,12.47152472183863
BCYD,HA,0.05440511888497411,1.466009287114437,0.0,0.0,1.466009287114437,0.0,1.466009287114437
BCYM,HA,0.05440511888497411,1.466009287114437,0.0,0.0,1.466009287114437,0.0,1.466009287114437
BCYD,CB,-0.04518888296688552,13.59099121928293,0.0,0.0,13.59099121928293,0.0,13.59099121928293
BCYM,CB,-0.04518888296688552,13.59099121928293,0.0,0.0,13.59099121928293,0.0,13.59099121928293
BCYD,C,0.6015790527148164,8.697838564799607,0.0,0.0,8.697838564799607,0.0,8.697838564799607
BCYM,C,0.6015790527148164,8.697838564799607,0.0,0.0,8.697838564799607,0.0,8.697838564799607
BCYD,HB,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYM,HB,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYD,HB1,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYM,HB1,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYD,1HB,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYM,1HB,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYD,HB2,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYM,HB2,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYD,2HB,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYM,2HB,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYD,HB3,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYM,HB3,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYD,3HB,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYM,3HB,0.03405249653482298,1.0129991539477783,0.0,0.0,1.0129991539477783,0.0,1.0129991539477783
BCYD,SG,-0.8657020463073154,31.375342487284946,0.0,0.0,31.375342487284946,0.0,31.375342487284946
BCYM,SG,-0.8657020463073154,31.375342487284946,0.0,0.0,31.375342487284946,0.0,31.375342487284946
BCYD,S,-0.8657020463073154,31.375342487284946,0.0,0.0,31.375342487284946,0.0,31.375342487284946
BCYM,S,-0.8657020463073154,31.375342487284946,0.0,0.0,31.375342487284946,0.0,31.375342487284946
BCYD,O,-0.5484564389838906,5.617514844521543,0.0,0.0,5.617514844521543,0.0,5.617514844521543
BCYM,O,-0.5484564389838906,5.617514844521543,0.0,0.0,5.617514844521543,0.0,5.617514844521543
BCYD,NT,-0.44300519491111834,7.372627667214916,0.0,0.0,7.372627667214916,0.0,7.372627667214916
BCYM,NT,-0.44300519491111834,7.372627667214916,0.0,0.0,7.372627667214916,0.0,7.372627667214916
BCYD,HNT,0.2710320422583608,0.9196703926102537,0.0,0.0,0.9196703926102537,0.0,0.9196703926102537
BCYM,HNT,0.2710320422583608,0.9196703926102537,0.0,0.0,0.9196703926102537,0.0,0.9196703926102537
BCYD,CAT,-0.21043013075264846,7.87935958194184,0.0,0.0,7.87935958194184,0.0,7.87935958194184
BCYM,CAT,-0.21043013075264846,7.87935958194184,0.0,0.0,7.87935958194184,0.0,7.87935958194184
BCYD,CH3,-0.21043013075264846,7.87935958194184,0.0,0.0,7.87935958194184,0.0,7.87935958194184
BCYM,CH3,-0.21043013075264846,7.87935958194184,0.0,0.0,7.87935958194184,0.0,7.87935958194184
BCYD,HT,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYM,HT,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYD,HT1,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYM,HT1,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYD,HT2,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYM,HT2,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYD,HT3,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYM,HT3,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYD,HH31,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYM,HH31,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYD,HH32,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYM,HH32,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYD,HH33,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYM,HH33,0.09532105229703787,1.1693436527264482,0.0,0.0,1.1693436527264482,0.0,1.1693436527264482
BCYX,N,-0.35976196815742895,6.006148361527839,0.0,0.0,6.006148361527839,0.0,6.006148361527839
BCYS1,N,-0.35976196815742895,6.006148361527839,0.0,0.0,6.006148361527839,0.0,6.006148361527839
BCYS2,N,-0.35976196815742895,6.006148361527839,0.0,0.0,6.006148361527839,0.0,6.006148361527839
BCYX,HN,0.24136101775833907,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
BCYS1,HN,0.24136101775833907,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
BCYS2,HN,0.24136101775833907,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
BCYX,H,0.24136101775833907,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
BCYS1,H,0.24136101775833907,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
BCYS2,H,0.24136101775833907,0.1898396532462323,0.0,0.0,0.1898396532462323,0.0,0.1898396532462323
BCYX,CA,-0.004484052842165598,7.483530838333549,0.0,0.0,7.483530838333549,0.0,7.483530838333549
BCYS1,CA,-0.004484052842165598,7.483530838333549,0.0,0.0,7.483530838333549,0.0,7.483530838333549
BCYS2,CA,-0.004484052842165598,7.483530838333549,0.0,0.0,7.483530838333549,0.0,7.483530838333549
BCYX,HA,0.14391057970549456,0.6428190552708702,0.0,0.0,0.6428190552708702,0.0,0.6428190552708702
BCYS1,HA,0.14391057970549456,0.6428190552708702,0.0,0.0,0.6428190552708702,0.0,0.6428190552708702
BCYS2,HA,0.14391057970549456,0.6428190552708702,0.0,0.0,0.6428190552708702,0.0,0.6428190552708702
BCYX,CB,-0.3447868250000059,9.79474333786971,0.0,0.0,9.79474333786971,0.0,9.79474333786971
BCYS1,CB,-0.3447868250000059,9.79474333786971,0.0,0.0,9.79474333786971,0.0,9.79474333786971
BCYS2,CB,-0.3447868250000059,9.79474333786971,0.0,0.0,9.79474333786971,0.0,9.79474333786971
BCYX,C,0.4810506623421635,6.0873453485947815,0.0,0.0,6.0873453485947815,0.0,6.0873453485947815
BCYS1,C,0.4810506623421635,6.0873453485947815,0.0,0.0,6.0873453485947815,0.0,6.0873453485947815
BCYS2,C,0.4810506623421635,6.0873453485947815,0.0,0.0,6.0873453485947815,0.0,6.0873453485947815
BCYX,HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS1,HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS2,HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYX,HB1,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS1,HB1,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS2,HB1,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYX,1HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS1,1HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS2,1HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYX,HB2,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS1,HB2,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS2,HB2,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYX,2HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS1,2HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS2,2HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYX,HB3,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS1,HB3,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS2,HB3,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYX,3HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS1,3HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYS2,3HB,0.16150936050185166,1.5431797367100886,0.0,0.0,1.5431797367100886,0.0,1.5431797367100886
BCYX,SG,-0.053651683694822414,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
BCYS1,SG,-0.053651683694822414,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
BCYS2,SG,-0.053651683694822414,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
BCYX,S,-0.053651683694822414,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
BCYS1,S,-0.053651683694822414,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
BCYS2,S,-0.053651683694822414,21.48087177918099,0.0,0.0,21.48087177918099,0.0,21.48087177918099
BCYX,O,-0.46586811194530187,5.146722372138534,0.0,0.0,5.146722372138534,0.0,5.146722372138534
BCYS1,O,-0.46586811194530187,5.146722372138534,0.0,0.0,5.146722372138534,0.0,5.146722372138534
BCYS2,O,-0.46586811194530187,5.146722372138534,0.0,0.0,5.146722372138534,0.0,5.146722372138534
BCYX,NT,-0.283140442134407,0.8100969693844053,0.0,0.0,0.8100969693844053,0.0,0.8100969693844053
BCYS1,NT,-0.283140442134407,0.8100969693844053,0.0,0.0,0.8100969693844053,0.0,0.8100969693844053
BCYS2,NT,-0.283140442134407,0.8100969693844053,0.0,0.0,0.8100969693844053,0.0,0.8100969693844053
BCYX,HNT,0.23464196348599808,9.723609270874329,0.0,0.0,9.723609270874329,0.0,9.723609270874329
BCYS1,HNT,0.23464196348599808,9.723609270874329,0.0,0.0,9.723609270874329,0.0,9.723609270874329
BCYS2,HNT,0.23464196348599808,9.723609270874329,0.0,0.0,9.723609270874329,0.0,9.723609270874329
BCYX,CAT,-0.3521904151194158,7.005337801981897,0.0,0.0,7.005337801981897,0.0,7.005337801981897
BCYS1,CAT,-0.3521904151194158,7.005337801981897,0.0,0.0,7.005337801981897,0.0,7.005337801981897
BCYS2,CAT,-0.3521904151194158,7.005337801981897,0.0,0.0,7.005337801981897,0.0,7.005337801981897
BCYX,CH3,-0.3521904151194158,7.005337801981897,0.0,0.0,7.005337801981897,0.0,7.005337801981897
BCYS1,CH3,-0.3521904151194158,7.005337801981897,0.0,0.0,7.005337801981897,0.0,7.005337801981897
BCYS2,CH3,-0.3521904151194158,7.005337801981897,0.0,0.0,7.005337801981897,0.0,7.005337801981897
BCYX,HT,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS1,HT,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS2,HT,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYX,HT1,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS1,HT1,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS2,HT1,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYX,HT2,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS1,HT2,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS2,HT2,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYX,HT3,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS1,HT3,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS2,HT3,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYX,HH31,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS1,HH31,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS2,HH31,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYX,HH32,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS1,HH32,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS2,HH32,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYX,HH33,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS1,HH33,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BCYS2,HH33,0.146633518199283,2.4597658727259093,0.0,0.0,2.4597658727259093,0.0,2.4597658727259093
BGLH,N,-0.3741528393205858,7.3879628582363805,0.0,0.0,7.3879628582363805,0.0,7.3879628582363805
BGLH,HN,0.24203786981066847,1.2566920363316132,0.0,0.0,1.2566920363316132,0.0,1.2566920363316132
BGLH,H,0.24203786981066847,1.2566920363316132,0.0,0.0,1.2566920363316132,0.0,1.2566920363316132
BGLH,CA,-0.0460439381379919,8.429874464634162,0.0,0.0,8.429874464634162,0.0,8.429874464634162
BGLH,HA,0.11584164965582712,1.6833297755339385,0.0,0.0,1.6833297755339385,0.0,1.6833297755339385
BGLH,CB,-0.11617287460987781,7.628412794012077,0.0,0.0,7.628412794012077,0.0,7.628412794012077
BGLH,C,0.574398440089816,8.087416859343373,0.0,0.0,8.087416859343373,0.0,8.087416859343373
BGLH,HB,0.07007618269213199,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
BGLH,HB1,0.07007618269213199,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
BGLH,1HB,0.07007618269213199,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
BGLH,HB2,0.07007618269213199,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
BGLH,2HB,0.07007618269213199,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
BGLH,HB3,0.07007618269213199,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
BGLH,3HB,0.07007618269213199,1.312736318035672,0.0,0.0,1.312736318035672,0.0,1.312736318035672
BGLH,CG,-0.1463151523280682,7.907595077294109,0.0,0.0,7.907595077294109,0.0,7.907595077294109
BGLH,O,-0.5142849574638165,5.59135204333137,0.0,0.0,5.59135204333137,0.0,5.59135204333137
BGLH,HG,0.08366635620092457,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
BGLH,1HG,0.08366635620092457,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
BGLH,HG1,0.08366635620092457,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
BGLH,HG2,0.08366635620092457,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
BGLH,2HG,0.08366635620092457,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
BGLH,HG3,0.08366635620092457,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
BGLH,3HG,0.08366635620092457,1.3892943045248154,0.0,0.0,1.3892943045248154,0.0,1.3892943045248154
BGLH,CD,0.655688738752485,7.769401977502223,0.0,0.0,7.769401977502223,0.0,7.769401977502223
BGLH,OE1,-0.5387295540935377,5.884801870310396,0.0,0.0,5.884801870310396,0.0,5.884801870310396
BGLH,OE2,-0.5721276188519078,5.458782497177052,0.0,0.0,5.458782497177052,0.0,5.458782497177052
BGLH,HE,0.4179166197836787,1.2562168658998198,0.0,0.0,1.2562168658998198,0.0,1.2562168658998198
BGLH,HE2,0.4179166197836787,1.2562168658998198,0.0,0.0,1.2562168658998198,0.0,1.2562168658998198
BGLH,NT,-0.3454488309936855,7.218534411204716,0.0,0.0,7.218534411204716,0.0,7.218534411204716
BGLH,HNT,0.23866751554105298,1.173342009107335,0.0,0.0,1.173342009107335,0.0,1.173342009107335
BGLH,CAT,-0.3125073571193558,7.456687451067318,0.0,0.0,7.456687451067318,0.0,7.456687451067318
BGLH,CH3,-0.3125073571193558,7.456687451067318,0.0,0.0,7.456687451067318,0.0,7.456687451067318
BGLH,HT,0.13791573716639519,1.507755457262028,0.0,0.0,1.507755457262028,0.0,1.507755457262028
BGLH,HT1,0.13791573716639519,1.507755457262028,0.0,0.0,1.507755457262028,0.0,1.507755457262028
BGLH,HT2,0.13791573716639519,1.507755457262028,0.0,0.0,1.507755457262028,0.0,1.507755457262028
BGLH,HT3,0.13791573716639519,1.507755457262028,0.0,0.0,1.507755457262028,0.0,1.507755457262028
BGLH,HH31,0.13791573716639519,1.507755457262028,0.0,0.0,1.507755457262028,0.0,1.507755457262028
BGLH,HH32,0.13791573716639519,1.507755457262028,0.0,0.0,1.507755457262028,0.0,1.507755457262028
BGLH,HH33,0.13791573716639519,1.507755457262028,0.0,0.0,1.507755457262028,0.0,1.507755457262028
BLYD,N,-0.39067867423732644,7.441477290823523,0.0,0.0,7.441477290823523,0.0,7.441477290823523
BLYN,N,-0.39067867423732644,7.441477290823523,0.0,0.0,7.441477290823523,0.0,7.441477290823523
BLYD,HN,0.24915911135639462,1.2678683968101505,0.0,0.0,1.2678683968101505,0.0,1.2678683968101505
BLYN,HN,0.24915911135639462,1.2678683968101505,0.0,0.0,1.2678683968101505,0.0,1.2678683968101505
BLYD,H,0.24915911135639462,1.2678683968101505,0.0,0.0,1.2678683968101505,0.0,1.2678683968101505
BLYN,H,0.24915911135639462,1.2678683968101505,0.0,0.0,1.2678683968101505,0.0,1.2678683968101505
BLYD,CA,-0.06084966165394169,8.462821787366286,0.0,0.0,8.462821787366286,0.0,8.462821787366286
BLYN,CA,-0.06084966165394169,8.462821787366286,0.0,0.0,8.462821787366286,0.0,8.462821787366286
BLYD,HA,0.11153554928173694,1.6962557605616753,0.0,0.0,1.6962557605616753,0.0,1.6962557605616753
BLYN,HA,0.11153554928173694,1.6962557605616753,0.0,0.0,1.6962557605616753,0.0,1.6962557605616753
BLYD,CB,-0.13445590150652484,7.944194392203185,0.0,0.0,7.944194392203185,0.0,7.944194392203185
BLYN,CB,-0.13445590150652484,7.944194392203185,0.0,0.0,7.944194392203185,0.0,7.944194392203185
BLYD,C,0.5782107850740443,8.152739502591063,0.0,0.0,8.152739502591063,0.0,8.152739502591063
BLYN,C,0.5782107850740443,8.152739502591063,0.0,0.0,8.152739502591063,0.0,8.152739502591063
BLYD,HB,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYN,HB,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYD,HB1,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYN,HB1,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYD,1HB,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYN,1HB,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYD,HB2,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYN,HB2,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYD,2HB,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYN,2HB,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYD,HB3,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYN,HB3,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYD,3HB,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYN,3HB,0.05370256469888982,1.3912630253312899,0.0,0.0,1.3912630253312899,0.0,1.3912630253312899
BLYD,CG,0.0658856140736727,7.821332343712766,0.0,0.0,7.821332343712766,0.0,7.821332343712766
BLYN,CG,0.0658856140736727,7.821332343712766,0.0,0.0,7.821332343712766,0.0,7.821332343712766
BLYD,O,-0.5138918989168493,5.628976812201736,0.0,0.0,5.628976812201736,0.0,5.628976812201736
BLYN,O,-0.5138918989168493,5.628976812201736,0.0,0.0,5.628976812201736,0.0,5.628976812201736
BLYD,HG,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYN,HG,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYD,1HG,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYN,1HG,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYD,HG1,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYN,HG1,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYD,HG2,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYN,HG2,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYD,2HG,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYN,2HG,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYD,HG3,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYN,HG3,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYD,3HG,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYN,3HG,0.010952097841404112,1.4482030133376163,0.0,0.0,1.4482030133376163,0.0,1.4482030133376163
BLYD,CD,-0.1622046385399551,7.87858583090797,0.0,0.0,7.87858583090797,0.0,7.87858583090797
BLYN,CD,-0.1622046385399551,7.87858583090797,0.0,0.0,7.87858583090797,0.0,7.87858583090797
BLYD,HD,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYN,HD,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYD,1HD,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYN,1HD,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYD,HD1,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYN,HD1,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYD,HD2,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYN,HD2,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYD,2HD,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYN,2HD,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYD,HD3,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYN,HD3,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYD,3HD,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYN,3HD,0.06262319715569867,1.5717975800579453,0.0,0.0,1.5717975800579453,0.0,1.5717975800579453
BLYD,CE,0.18737012306288967,7.831446738591374,0.0,0.0,7.831446738591374,0.0,7.831446738591374
BLYN,CE,0.18737012306288967,7.831446738591374,0.0,0.0,7.831446738591374,0.0,7.831446738591374
BLYD,HE,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYN,HE,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYD,HE2,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYN,HE2,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYD,1HE,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYN,1HE,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYD,HE1,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYN,HE1,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYD,HE3,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYN,HE3,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYD,2HE,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYN,2HE,0.01310557367617554,1.7031841483404846,0.0,0.0,1.7031841483404846,0.0,1.7031841483404846
BLYD,NZ,-0.7997673377599015,7.8265567607612505,0.0,0.0,7.8265567607612505,0.0,7.8265567607612505
BLYN,NZ,-0.7997673377599015,7.8265567607612505,0.0,0.0,7.8265567607612505,0.0,7.8265567607612505
BLYD,HZ,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,HZ,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,HZ1,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,HZ1,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,1HZ,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,1HZ,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,HNZ1,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,HNZ1,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,HZ2,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,HZ2,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,2HZ,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,2HZ,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,HNZ2,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,HNZ2,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,HZ3,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,HZ3,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,3HZ,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,3HZ,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,HNZ3,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYN,HNZ3,0.3006281747279185,1.4204423689426766,0.0,0.0,1.4204423689426766,0.0,1.4204423689426766
BLYD,NT,-0.3568969450307191,7.277248784692998,0.0,0.0,7.277248784692998,0.0,7.277248784692998
BLYN,NT,-0.3568969450307191,7.277248784692998,0.0,0.0,7.277248784692998,0.0,7.277248784692998
BLYD,HNT,0.24142988331596643,1.1819589318400523,0.0,0.0,1.1819589318400523,0.0,1.1819589318400523
BLYN,HNT,0.24142988331596643,1.1819589318400523,0.0,0.0,1.1819589318400523,0.0,1.1819589318400523
BLYD,CAT,-0.2753150012514516,7.541511783514834,0.0,0.0,7.541511783514834,0.0,7.541511783514834
BLYN,CAT,-0.2753150012514516,7.541511783514834,0.0,0.0,7.541511783514834,0.0,7.541511783514834
BLYD,CH3,-0.2753150012514516,7.541511783514834,0.0,0.0,7.541511783514834,0.0,7.541511783514834
BLYN,CH3,-0.2753150012514516,7.541511783514834,0.0,0.0,7.541511783514834,0.0,7.541511783514834
BLYD,HT,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYN,HT,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYD,HT1,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYN,HT1,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYD,HT2,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYN,HT2,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYD,HT3,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYN,HT3,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYD,HH31,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYN,HH31,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYD,HH32,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYN,HH32,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYD,HH33,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039
BLYN,HH33,0.12614859217726385,1.5219699560318039,0.0,0.0,1.5219699560318039,0.0,1.5219699560318039