NAME PYC IO_STRING PYC X TYPE POLYMER AA UNK ATOM N Nbb NH1 -0.57 ATOM CA CAbb CT1 -0.05 ATOM C CObb C 0.66 ATOM O OCbb O -0.51 ATOM H HNbb H 0.47 ATOM HA Hapo HB 0.14 ATOM CB CH2 CT2 -0.14 ATOM 1HB Hapo HA 0.14 ATOM 2HB Hapo HA 0.14 ATOM SG S S -0.12 ATOM CD CH1 CT1 -0.05 ATOM 1HD Hapo HA 0.14 ATOM CE1 CH2 CT2 -0.14 ATOM 1HE1 Hapo HA 0.14 ATOM 2HE1 Hapo HA 0.14 ATOM CE2 COO C 0.66 ATOM OZ1 ONH2 O -0.51 ATOM NZ2 Nhis N -0.49 ATOM CZ3 COO C 0.66 ATOM OT1 ONH2 O -0.51 ATOM CT2 CH2 CT2 -0.14 ATOM 1HT2 Hapo HA 0.14 ATOM 2HT2 Hapo HA 0.14 ATOM CI CH2 CT2 -0.14 ATOM 1HI Hapo HA 0.14 ATOM 2HI Hapo HA 0.14 ATOM NK Npro N -0.33 ATOM CL1 aroC CA -0.07 ATOM 1HL1 Haro HR3 0.16 ATOM CL2 aroC CA -0.07 ATOM CM1 aroC CA -0.07 ATOM 1HL2 Haro HR3 0.16 ATOM 1HM1 Haro HP 0.16 ATOM CM2 aroC CA -0.07 ATOM CN aroC CA -0.07 ATOM 1HM2 Haro HP 0.16 ATOM CX CNH2 CA 0.59 ATOM OO1 ONH2 OS -0.51 ATOM NO2 Nhis X -0.49 ATOM CR aroC CA -0.07 ATOM CS1 aroC CA -0.07 ATOM CS2 aroC CA -0.07 ATOM CU1 aroC CA -0.07 ATOM CU2 aroC CA -0.07 ATOM CP1 aroC CA -0.07 ATOM 1HS1 Haro HP 0.16 ATOM 1HS2 Haro HP 0.16 ATOM 1HU1 Haro HP 0.16 ATOM 1HU2 Haro HP 0.16 ATOM 1HP1 Haro HP 0.16 ATOM CP2 COO CA 0.66 ATOM CP3 aroC CA -0.07 ATOM OC OH OS -0.62 ATOM CW CH3 CT3 -0.23 ATOM 1HW Hapo HA 0.14 ATOM 2HW Hapo HA 0.14 ATOM 3HW Hapo HA 0.14 BOND N H BOND N CA BOND CA HA BOND CA C BOND CA CB BOND CB 1HB BOND CB SG BOND CB 2HB BOND CD 1HD BOND CD CE1 BOND CD SG BOND CE1 1HE1 BOND CE1 2HE1 BOND CZ3 CE1 BOND CZ3 OT1 BOND NZ2 CZ3 BOND CE2 CD BOND CE2 NZ2 BOND OZ1 CE2 BOND CT2 NZ2 BOND CT2 1HT2 BOND CT2 2HT2 BOND CI NK BOND CI CT2 BOND CI 1HI BOND CI 2HI BOND NK CL1 BOND CL1 CM1 BOND CL1 1HL1 BOND CM1 1HM1 BOND CN CX BOND CN CM1 BOND CM2 CN BOND CM2 1HM2 BOND CL2 CM2 BOND CL2 NK BOND CL2 1HL2 BOND CX NO2 BOND NO2 CP1 BOND CP1 1HP1 BOND CP2 CP1 BOND OO1 CX BOND OO1 CP2 BOND CR CP2 BOND CR CS2 BOND CS1 CR BOND CS1 1HS1 BOND CU1 CS1 BOND CU1 CP3 BOND CU1 1HU1 BOND CP3 CU2 BOND CU2 CS2 BOND CU2 1HU2 BOND CS2 1HS2 BOND OC CP3 BOND OC CW BOND CW 1HW BOND CW 2HW BOND CW 3HW BOND C O LOWER_CONNECT N UPPER_CONNECT C CHI 1 N CA CB SG CHI 2 CA CB SG CD CHI 3 CB SG CD CE1 CHI 4 CZ3 NZ2 CT2 CI NBR_ATOM CB NBR_RADIUS 28.688483 FIRST_SIDECHAIN_ATOM CB PROPERTIES PROTEIN POLAR CHARGED L_AA ICOOR_INTERNAL N 0.000000 0.000000 0.000000 N CA C ICOOR_INTERNAL CA 0.000000 180.000000 1.440801 N CA C ICOOR_INTERNAL C 0.000000 72.273126 1.528879 CA N C ICOOR_INTERNAL O -29.533895 59.782819 1.203353 C CA N ICOOR_INTERNAL UPPER 149.994499 64.037321 1.339423 C CA N ICOOR_INTERNAL CB -122.859164 68.261184 1.546001 CA N C ICOOR_INTERNAL SG -146.968799 66.024062 1.818170 CB CA N ICOOR_INTERNAL CD 74.934947 80.959421 1.820809 SG CB CA ICOOR_INTERNAL CE1 70.961897 63.534837 1.538555 CD SG CB ICOOR_INTERNAL CZ3 130.169815 75.270018 1.508942 CE1 CD SG ICOOR_INTERNAL OT1 173.697689 51.157890 1.194474 CZ3 CE1 CD ICOOR_INTERNAL NZ2 179.676340 71.692467 1.376651 CZ3 CE1 OT1 ICOOR_INTERNAL CE2 2.466392 65.876477 1.387197 NZ2 CZ3 CE1 ICOOR_INTERNAL OZ1 -178.946703 56.040533 1.184874 CE2 NZ2 CZ3 ICOOR_INTERNAL CT2 -177.213800 58.520779 1.441584 NZ2 CZ3 CE2 ICOOR_INTERNAL CI -73.488165 69.068040 1.539941 CT2 NZ2 CZ3 ICOOR_INTERNAL NK 145.622132 68.602341 1.479840 CI CT2 NZ2 ICOOR_INTERNAL CL1 -76.705435 61.484664 1.346878 NK CI CT2 ICOOR_INTERNAL CM1 179.532504 58.769018 1.363851 CL1 NK CI ICOOR_INTERNAL CN -0.154362 60.704287 1.400151 CM1 CL1 NK ICOOR_INTERNAL CX 179.908953 60.300756 1.448558 CN CM1 CL1 ICOOR_INTERNAL NO2 0.055227 53.223411 1.275692 CX CN CM1 ICOOR_INTERNAL CP1 179.999719 74.988533 1.365984 NO2 CX CN ICOOR_INTERNAL CP2 -0.001508 70.935268 1.357259 CP1 NO2 CX ICOOR_INTERNAL OO1 -0.003314 73.475797 1.349297 CP2 CP1 NO2 ICOOR_INTERNAL CR -179.997806 45.267187 1.456135 CP2 CP1 OO1 ICOOR_INTERNAL CS2 0.196137 59.621792 1.389412 CR CP2 CP1 ICOOR_INTERNAL CU2 -179.986392 58.621796 1.382661 CS2 CR CP2 ICOOR_INTERNAL CP3 0.004234 60.353737 1.390791 CU2 CS2 CR ICOOR_INTERNAL CU1 -0.005565 60.535548 1.396640 CP3 CU2 CS2 ICOOR_INTERNAL CS1 0.006305 59.659189 1.372328 CU1 CP3 CU2 ICOOR_INTERNAL 1HS1 179.986972 60.800574 1.073511 CS1 CU1 CP3 ICOOR_INTERNAL 1HU1 179.988914 61.557694 1.073417 CU1 CP3 CS1 ICOOR_INTERNAL OC -179.993338 55.303438 1.333981 CP3 CU2 CU1 ICOOR_INTERNAL CW -0.034291 59.520202 1.406327 OC CP3 CU2 ICOOR_INTERNAL 1HW 61.315975 68.878696 1.083770 CW OC CP3 ICOOR_INTERNAL 2HW 118.702407 74.048905 1.078214 CW OC 1HW ICOOR_INTERNAL 3HW 118.715651 68.874642 1.083730 CW OC 2HW ICOOR_INTERNAL 1HU2 179.999974 60.836038 1.071777 CU2 CS2 CP3 ICOOR_INTERNAL 1HS2 -179.979998 59.745108 1.074843 CS2 CR CU2 ICOOR_INTERNAL 1HP1 179.987621 58.294661 1.067457 CP1 NO2 CP2 ICOOR_INTERNAL CM2 -179.984946 61.506678 1.396966 CN CM1 CX ICOOR_INTERNAL CL2 0.181049 60.916039 1.367504 CM2 CN CM1 ICOOR_INTERNAL 1HL2 179.715206 58.105166 1.071846 CL2 CM2 CN ICOOR_INTERNAL 1HM2 179.790445 58.731751 1.071191 CM2 CN CL2 ICOOR_INTERNAL 1HM1 179.903375 59.808157 1.071553 CM1 CL1 CN ICOOR_INTERNAL 1HL1 -179.573684 64.010801 1.073428 CL1 NK CM1 ICOOR_INTERNAL 1HI -118.691102 69.399335 1.077354 CI CT2 NK ICOOR_INTERNAL 2HI -120.612907 68.290988 1.079325 CI CT2 1HI ICOOR_INTERNAL 1HT2 120.626437 71.755645 1.081376 CT2 NZ2 CI ICOOR_INTERNAL 2HT2 117.354709 72.153095 1.079107 CT2 NZ2 1HT2 ICOOR_INTERNAL 1HE1 -117.103500 67.266293 1.083659 CE1 CD CZ3 ICOOR_INTERNAL 2HE1 -123.075340 67.477319 1.081242 CE1 CD 1HE1 ICOOR_INTERNAL 1HD -123.982992 71.229919 1.081634 CD SG CE1 ICOOR_INTERNAL 1HB 122.097152 71.064267 1.079813 CB CA SG ICOOR_INTERNAL 2HB 117.860809 68.822664 1.082821 CB CA 1HB ICOOR_INTERNAL HA -119.724684 72.437658 1.079709 CA N CB ICOOR_INTERNAL LOWER -149.974874 58.994953 1.346440 N CA C ICOOR_INTERNAL H 168.808562 63.486275 0.996860 N CA LOWER