NAME DFT IO_STRING DFT X TYPE POLYMER AA UNK ATOM N Nbb NH1 -0.60 ATOM CA CAbb CT1 -0.08 ATOM C CObb C 0.63 ATOM O OCbb O -0.54 ATOM CB CH2 CT2 -0.17 ATOM H Hpol H 0.44 ATOM HA Hapo HB 0.11 ATOM CG aroC CE1 -0.10 ATOM CD1 aroC CE1 -0.10 ATOM CD2 aroC CE1 -0.10 ATOM CE1 aroC CE1 -0.10 ATOM CE2 aroC CE1 -0.10 ATOM FZ2 F X -0.24 ATOM CZ3 aroC CE1 -0.10 ATOM 2HB Hapo HA 0.11 ATOM 1HD2 Haro HE1 0.13 ATOM FZ1 F X -0.24 ATOM OT OH OH1 -0.65 ATOM 1HB Hapo HA 0.11 ATOM 1HD1 Haro HE1 0.13 ATOM 1HT Hpol H 0.44 BOND CE1 CD1 BOND CD1 CG BOND CG CD2 BOND CD2 CE2 BOND CE2 CZ3 BOND CZ3 CE1 BOND CE1 FZ2 BOND CE2 FZ1 BOND CZ3 OT BOND OT 1HT BOND CG CB BOND CD1 1HD1 BOND CD2 1HD2 BOND CB CA BOND CA C BOND C O BOND CA N BOND CB 1HB BOND CB 2HB BOND CA HA LOWER_CONNECT N UPPER_CONNECT C CHI 1 CE1 CZ3 OT 1HT PROTON_CHI 1 SAMPLES 2 0 180 EXTRA 1 20 CHI 2 N CA C O CHI 3 N CA CB CG CHI 4 CA CB CG CD1 NBR_ATOM CB NBR_RADIUS 8.026217 FIRST_SIDECHAIN_ATOM CB PROPERTIES PROTEIN POLAR AROMATIC ICOOR_INTERNAL N 0.000000 0.000000 0.000000 N CA C ICOOR_INTERNAL CA 0.000000 180.000000 1.452083 N CA C ICOOR_INTERNAL C 0.000000 73.336577 1.539306 CA N C ICOOR_INTERNAL CB 0.000000 68.206183 1.557394 CA N CB ICOOR_INTERNAL CG 179.827889 66.053745 1.512390 CB CA N ICOOR_INTERNAL CD1 -84.821900 59.306391 1.402528 CG CB CA ICOOR_INTERNAL CE1 178.542101 59.437449 1.388659 CD1 CG CB ICOOR_INTERNAL CZ3 -0.013845 58.245816 1.397396 CE1 CD1 CG ICOOR_INTERNAL CE2 -0.053261 63.550279 1.396187 CZ3 CE1 CD1 ICOOR_INTERNAL CD2 -0.013510 56.644530 1.384876 CE2 CZ3 CE1 ICOOR_INTERNAL 1HD2 -179.519736 60.576533 1.085211 CD2 CE2 CZ3 ICOOR_INTERNAL FZ1 179.867892 64.072598 1.359991 CE2 CZ3 CD2 ICOOR_INTERNAL OT 179.861676 59.323279 1.358367 CZ3 CE1 CE2 ICOOR_INTERNAL 1HT -178.673794 72.610170 0.972195 OT CZ3 CE1 ICOOR_INTERNAL FZ2 179.749118 59.999325 1.344963 CE1 CD1 CZ3 ICOOR_INTERNAL 1HD1 178.943039 58.697771 1.086093 CD1 CG CE1 ICOOR_INTERNAL 1HB -122.671057 72.370254 1.095972 CB CA CG ICOOR_INTERNAL 2HB -115.009365 72.945809 1.094771 CB CA 1HB ICOOR_INTERNAL O 50.607734 60.177243 1.228027 C CA N ICOOR_INTERNAL UPPER -129.501760 63.823979 1.357718 C CA N ICOOR_INTERNAL H 172.453203 61.523312 1.009857 UPPER C C ICOOR_INTERNAL HA -119.446794 70.858238 1.094695 CA N C ICOOR_INTERNAL LOWER 149.954929 50.932396 1.373848 N CA C