NAME GYS IO_STRING GYS X TYPE POLYMER AA UNK ATOM N Nbb NXX -0.57 ATOM CA CAbb CT2 -0.14 ATOM C CObb C 0.66 ATOM O OCbb O -0.51 ATOM CA CH1 CT1 -0.05 ATOM CB1 CH2 CT2 -0.14 ATOM CB2 CH1 X -0.05 ATOM OG1 OH OH1 -0.62 ATOM NG2 Nhis X -0.49 ATOM NG3 Nhis N -0.49 ATOM CD1 CH1 X -0.05 ATOM CD3 COO C 0.66 ATOM OE1 ONH2 O -0.51 ATOM CE2 CH1 X -0.05 ATOM CZ aroC CE1 -0.07 ATOM CT1 aroC CE1 -0.07 ATOM CT2 aroC CE1 -0.07 ATOM CI1 aroC CE1 -0.07 ATOM CI2 aroC CE1 -0.07 ATOM CK aroC CE1 -0.07 ATOM OL OH OH1 -0.62 ATOM H HNbb H 0.47 ATOM 1HA Hapo HA 0.14 ATOM 1HB1 Hapo HA 0.14 ATOM 2HB1 Hapo HA 0.14 ATOM 1HG1 Hpol H 0.47 ATOM 1HD2 Hapo HA 0.14 ATOM 2HD2 Hapo HA 0.14 ATOM 1HE2 Hapo HA 0.14 ATOM 1HT1 Haro HE1 0.16 ATOM 1HT2 Haro HE1 0.16 ATOM 1HI1 Haro HE1 0.16 ATOM 1HI2 Haro HE1 0.16 ATOM 1HL Hpol H 0.47 BOND N CA BOND N H BOND CA CB2 BOND CA 1HA BOND CA CB1 BOND CD1 CE2 BOND CD1 CD3 BOND CD1 NG2 BOND CA C BOND CA 1HD2 BOND CA 2HD2 BOND CA NG3 BOND C O BOND CB1 1HB1 BOND CB1 2HB1 BOND CB1 OG1 BOND CE2 CZ BOND CE2 1HE2 BOND CZ CT1 BOND CZ CT2 BOND OG1 1HG1 BOND CT1 CI1 BOND CT1 1HT1 BOND CT2 CI2 BOND CT2 1HT2 BOND CI1 CK BOND CI1 1HI1 BOND CI2 CK BOND CI2 1HI2 BOND CK OL BOND OL 1HL BOND CB2 NG2 BOND CB2 NG3 BOND CD3 OE1 BOND CD3 NG3 LOWER_CONNECT N UPPER_CONNECT C CHI 1 N CA CB2 NG2 CHI 2 N CA CB1 OG1 CHI 3 NG2 CD1 CE2 CZ CHI 4 NG3 CA C O CHI 5 CD3 NG3 CA C CHI 6 CD1 CE2 CZ CT1 CHI 7 CA CB1 OG1 1HG1 PROTON_CHI 7 SAMPLES 3 60 -60 180 EXTRA 1 20 CHI 8 CI1 CK OL 1HL PROTON_CHI 8 SAMPLES 2 0 180 EXTRA 1 20 NBR_ATOM CB1 NBR_RADIUS 14.803036 FIRST_SIDECHAIN_ATOM CA PROPERTIES PEPTOID ICOOR_INTERNAL N 0.000000 0.000000 0.000000 N CA C ICOOR_INTERNAL CA 0.000000 180.000000 3.315298 N CA C ICOOR_INTERNAL C 0.000001 49.250524 1.523753 CA N C ICOOR_INTERNAL LOWER 71.081894 89.293187 1.337745 N CA C ICOOR_INTERNAL CA 1.354257 55.729253 1.474675 N LOWER O ICOOR_INTERNAL CB2 -125.806234 71.458148 1.477767 CA N LOWER ICOOR_INTERNAL NG2 -104.780553 54.863250 1.292246 CB2 CA N ICOOR_INTERNAL CD1 177.194339 73.047050 1.419353 NG2 CB2 CA ICOOR_INTERNAL CE2 -175.734026 51.713922 1.392008 CD1 NG2 CB2 ICOOR_INTERNAL CZ -1.003156 49.311863 1.412229 CE2 CD1 NG2 ICOOR_INTERNAL CT1 -1.297343 55.213543 1.426644 CZ CE2 CD1 ICOOR_INTERNAL CI1 -179.445620 58.411956 1.344316 CT1 CZ CE2 ICOOR_INTERNAL CK -3.178509 57.993969 1.412370 CI1 CT1 CZ ICOOR_INTERNAL CI2 0.265971 63.450863 1.401555 CK CI1 CT1 ICOOR_INTERNAL CT2 2.881474 58.962557 1.385213 CI2 CK CI1 ICOOR_INTERNAL 1HT2 176.818674 61.027543 0.929846 CT2 CI2 CK ICOOR_INTERNAL 1HI2 179.973205 60.568245 0.930025 CI2 CK CT2 ICOOR_INTERNAL OL 179.069871 58.284620 1.324250 CK CI1 CI2 ICOOR_INTERNAL 1HL 0.424373 70.510739 0.819608 OL CK CI1 ICOOR_INTERNAL 1HI1 -179.949775 61.022178 0.929218 CI1 CT1 CK ICOOR_INTERNAL 1HT1 179.990868 60.747023 0.930087 CT1 CZ CI1 ICOOR_INTERNAL 1HE2 179.980681 65.407011 0.929126 CE2 CD1 CZ ICOOR_INTERNAL CD3 175.639024 72.230646 1.454442 CD1 NG2 CE2 ICOOR_INTERNAL OE1 -176.904842 48.668213 1.254854 CD3 CD1 NG2 ICOOR_INTERNAL NG3 177.199753 75.205308 1.371968 CD3 CD1 OE1 ICOOR_INTERNAL O -124.170216 61.111025 1.258944 C CA N ICOOR_INTERNAL UPPER 53.446518 62.852064 1.320098 C CA N ICOOR_INTERNAL 1HD2 -121.755318 71.437678 0.969915 CA NG3 C ICOOR_INTERNAL 2HD2 -116.570671 71.493416 0.970183 CA NG3 1HD2 ICOOR_INTERNAL CB1 -122.850458 70.066690 1.501526 CA N CB2 ICOOR_INTERNAL OG1 -173.789001 69.536433 1.415256 CB1 CA N ICOOR_INTERNAL 1HG1 -61.036829 70.549755 0.820745 OG1 CB1 CA ICOOR_INTERNAL 1HB1 120.786661 70.451342 0.970154 CB1 CA OG1 ICOOR_INTERNAL 2HB1 118.405497 70.472650 0.970545 CB1 CA 1HB1 ICOOR_INTERNAL 1HA -118.929067 71.232669 0.979968 CA N CB1 ICOOR_INTERNAL H -179.927271 62.122388 0.860261 N LOWER CA