data_2a20_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2a20 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo . . . . . 0 N--CA 1.458 -0.585 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -134.9 149.66 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.511 0.672 . . . . 0.0 112.711 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 52.6 t -73.13 136.04 44.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.355 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.62 13.31 48.06 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.311 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.5 mp -119.41 -69.26 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.1 p -88.95 -14.11 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.5 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 33.4 t-80 52.97 23.49 2.91 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -111.18 -58.16 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.909 0.385 . . . . 0.0 110.622 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.8 m -63.22 112.19 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.5 mtmt -94.17 124.32 38.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.216 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.49 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 120.872 0.151 . . . . 0.0 112.797 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.42 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 66.5 m-70 -96.68 121.38 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.709 0.29 . . . . 0.0 110.638 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -110.03 129.9 55.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 29.9 t -54.7 122.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.5 t -59.41 -17.31 29.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.94 -77.69 0.58 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.356 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.8 m -58.46 -24.73 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.688 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 63.2 mm-40 74.97 2.83 4.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.8 m -67.68 145.19 55.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 111.302 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.3 mttp -86.6 116.39 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.8 p90 -130.53 163.26 27.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 111.309 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.8 p -86.88 171.79 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.735 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.12 -15.87 27.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.977 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -94.42 -17.94 22.02 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 93.2 m -106.84 29.21 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 111.175 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -173.22 -172.07 38.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.593 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.92 158.01 27.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.437 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.904 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 54.2 mtt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.42 ' CE2' ' ND1' ' A' ' 106' ' ' HIS . 39.9 m95 -114.57 131.48 56.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.47 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 65.5 t -118.68 125.22 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.755 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.2 p -58.42 155.02 12.63 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.165 0.507 . . . . 0.0 111.577 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -55.9 -18.56 9.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.814 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.99 -31.17 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.47 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 22.4 m -89.65 -45.08 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.439 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.02 -29.2 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -88.77 -51.75 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.0 -33.17 75.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.42 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -89.31 9.71 25.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.506 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.908 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 1.8 Cg_endo . . . . . 0 N--CA 1.456 -0.703 0 N-CA-C 111.702 -0.153 . . . . 0.0 111.702 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 p -137.24 147.13 45.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.05 136.66 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.679 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.57 16.6 34.66 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.3 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.6 mp -124.45 -70.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 110.587 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.7 p -90.13 -8.2 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.842 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 13.4 p80 45.39 29.55 0.59 Allowed 'General case' 0 C--O 1.231 0.097 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -111.17 -61.12 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.746 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.4 m -63.37 116.69 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.26 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -95.12 124.75 39.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.485 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.522 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.485 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.158 0 CA-C-O 120.713 0.063 . . . . 0.0 113.25 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.589 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 14.0 m80 -98.22 117.75 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -109.55 137.66 47.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.891 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.4 t -55.33 126.26 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.2 t -58.39 -18.26 26.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.274 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -111.11 -73.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.275 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 11.9 m -56.17 -24.42 41.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.36 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 29.1 mm-40 69.42 5.66 5.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.705 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.9 m -67.26 143.44 56.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.471 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 94.2 mttt -85.27 113.75 21.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.969 0.414 . . . . 0.0 110.702 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.7 p90 -130.62 163.43 27.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.564 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.35 172.07 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.987 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.9 34.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -92.12 -18.18 23.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.503 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 94.6 m -110.12 35.55 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 174.83 163.19 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.611 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -118.48 148.32 18.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.438 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 57.2 ttp180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.2 ptm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.589 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 41.0 m95 -118.2 133.52 55.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 138' ' ' ARG . 53.0 t -114.07 121.6 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.0 p -63.07 156.91 23.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.087 0.47 . . . . 0.0 110.921 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -54.36 -19.32 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.17 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.24 -36.53 27.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 110.697 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 86.2 m -89.1 -34.63 16.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.32 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.437 ' N ' HG12 ' A' ' 133' ' ' VAL . 60.2 ttp180 -62.95 -39.27 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.015 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -77.91 -45.12 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.76 -28.0 68.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.98 -9.96 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.407 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.813 179.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.3 Cg_endo . . . . . 0 N--CA 1.458 -0.607 0 N-CA-C 111.594 -0.194 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 p -135.88 148.02 48.44 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 53.6 t -68.79 137.23 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.89 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.63 12.74 50.93 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.332 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.4 mp -120.72 -70.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.615 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.7 p -89.41 -9.25 50.94 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.611 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 21.7 p80 45.24 33.2 1.12 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.596 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -117.33 -58.18 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.786 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 83.0 m -63.17 121.18 13.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.275 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 19.1 mtpp -92.47 123.03 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.053 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.494 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 12.9 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.164 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.494 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.165 0 N-CA-C 112.222 -0.351 . . . . 0.0 112.222 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -99.09 117.46 33.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.274 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -107.98 134.47 50.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.4 t -55.8 121.95 10.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.4 t -58.77 -17.87 26.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -104.46 -76.54 0.6 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.75 0.309 . . . . 0.0 111.449 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -59.12 -24.51 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 75.62 1.77 3.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.145 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.6 m -66.12 144.27 56.78 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.872 0.368 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 45.7 mtmt -86.42 114.05 22.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.444 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -128.74 163.67 24.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.7 171.38 11.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.652 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.74 -14.78 35.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.741 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -94.59 -17.99 21.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 66.0 m -106.91 34.73 3.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.059 0.457 . . . . 0.0 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.17 179.27 47.35 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -131.92 161.73 23.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.692 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.406 ' HG2' ' CZ2' ' A' ' 132' ' ' TRP . 98.7 mtt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 110.778 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtt . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.967 0.413 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 44.2 m95 -108.48 144.34 36.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.397 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.0 t -130.25 124.02 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.58 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.2 p -58.0 154.37 12.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.324 0.583 . . . . 0.0 111.776 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -56.13 -17.24 6.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.119 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.66 -34.23 30.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.197 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.458 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -86.65 -30.21 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.109 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.204 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -86.74 -48.37 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.27 -24.12 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -109.72 13.84 23.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.498 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.949 179.701 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.462 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.9 Cg_endo . . . . . 0 N--CA 1.457 -0.654 0 N-CA-C 111.327 -0.297 . . . . 0.0 111.327 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 7.0 p -137.57 148.34 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.49 135.89 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.776 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.35 10.63 58.35 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.284 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.1 mp -117.52 -67.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.716 0.293 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -90.81 -12.54 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.862 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 m80 50.51 24.37 1.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.726 0.298 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -110.19 -61.96 1.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.0 m -63.1 114.62 3.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.935 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.4 mtpt -92.6 123.24 35.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.544 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 5.4 m-85 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.544 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.23 0 CA-C-O 121.001 0.223 . . . . 0.0 112.988 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 60.4 m-70 -99.68 115.43 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 110.114 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -103.86 136.5 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.169 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.7 t -54.2 125.78 20.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t -59.1 -17.42 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.423 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -111.34 -72.15 0.73 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.655 0.264 . . . . 0.0 111.386 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 14.6 m -57.23 -25.29 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 79.4 mm-40 71.03 4.64 5.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.648 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.9 m -67.07 141.97 57.3 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.636 0.255 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -84.49 115.46 22.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.475 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -132.0 163.7 27.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.182 0.515 . . . . 0.0 111.707 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.7 170.43 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.73 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.16 -15.64 25.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.612 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -92.4 -18.71 22.91 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.415 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 71.3 m -107.1 29.62 6.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.023 0.44 . . . . 0.0 110.933 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.475 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 176.79 171.83 40.81 Favored Glycine 0 CA--C 1.517 0.177 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.266 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.84 153.46 17.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.822 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.488 ' HB3' ' CH2' ' A' ' 132' ' ' TRP . 37.9 ptt180 . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.709 0.29 . . . . 0.0 110.732 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 20.3 ptp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.573 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 24.6 m95 -123.99 151.7 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 111.357 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.42 120.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.449 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 17.8 p -67.21 157.37 33.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 0.0 110.803 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -54.16 -19.13 4.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.239 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.25 -37.28 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 94.9 m -86.57 -32.88 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.313 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -62.53 -40.6 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.55 -43.12 13.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.08 -25.08 66.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 141' ' ' GLN . 34.4 tt0 -112.19 11.5 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.232 179.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo . . . . . 0 N--CA 1.46 -0.486 0 N-CA-C 111.667 -0.167 . . . . 0.0 111.667 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.6 p -138.37 153.29 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.528 0.68 . . . . 0.0 112.789 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.5 t -74.78 138.07 42.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.623 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.15 16.79 36.33 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.364 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.7 mp -123.84 -70.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.963 0.411 . . . . 0.0 110.576 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.7 p -89.82 -9.72 48.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.686 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 33.6 t-80 48.12 25.68 0.87 Allowed 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.632 0.254 . . . . 0.0 111.489 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -109.58 -60.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.714 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.5 m -63.12 116.64 5.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.04 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -95.26 130.37 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.184 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.1 m-85 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.774 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.227 0 CA-C-O 120.793 0.107 . . . . 0.0 113.092 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.567 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 50.0 m80 -96.45 130.01 43.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.739 0.304 . . . . 0.0 110.57 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.81 135.35 54.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.38 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 36.3 t -54.75 127.11 26.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.992 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 131' ' ' MET . 32.7 t -58.59 -18.3 28.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.383 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -111.38 -72.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 0.0 111.595 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.08 -24.71 59.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.641 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 69.11 7.01 5.98 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.539 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.0 m -66.45 146.13 54.89 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.724 0.297 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 81.0 mttt -86.72 110.73 20.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.3 p90 -128.63 163.43 25.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.182 0.515 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.1 p -86.76 171.56 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.075 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -94.5 -16.73 23.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.429 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 82.4 m -108.25 34.41 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.106 0.479 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.2 170.33 38.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.274 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -130.67 154.11 20.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.829 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.404 ' HB3' ' HB2' ' A' ' 109' ' ' SER . 38.3 mtt . . . . . 0 CA--C 1.522 -0.113 0 CA-C-O 121.059 0.457 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 23.6 m95 -99.8 151.32 21.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.514 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 138' ' ' ARG . 43.1 t -127.36 120.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.473 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 26.2 p -61.88 155.2 23.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.422 . . . . 0.0 110.464 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 95.1 m-20 -53.48 -19.56 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.128 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.84 -33.67 27.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.409 ' CB ' HG11 ' A' ' 133' ' ' VAL . 55.5 m -89.3 -34.17 16.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.479 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.447 ' N ' ' CG1' ' A' ' 133' ' ' VAL . 45.9 ttp180 -61.97 -41.85 98.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.57 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -81.2 -56.89 3.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.398 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -50.69 -25.89 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 9.8 tt0 -111.22 18.36 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.873 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 2.5 Cg_endo . . . . . 0 N--CA 1.457 -0.624 0 N-CA-C 111.24 -0.331 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.423 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 6.1 p -136.64 153.76 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.32 137.08 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.609 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.29 20.67 15.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.583 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.9 mp -127.06 -69.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.327 . . . . 0.0 110.5 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -89.0 -12.82 40.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.305 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 65.3 m80 50.96 32.84 7.93 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.441 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -117.2 -61.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.966 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.8 m -62.74 119.66 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -94.88 128.65 41.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.494 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.487 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.621 -0.191 . . . . 0.0 112.621 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.463 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 29.3 m80 -96.22 121.0 37.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.192 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -112.23 135.26 53.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 28.8 t -56.42 123.89 16.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.6 p -58.56 -18.35 28.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -107.71 -73.75 0.68 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.427 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 7.5 m -58.71 -25.54 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 67.1 mm-40 73.52 3.72 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.4 m -66.48 144.16 56.65 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.909 0.385 . . . . 0.0 111.153 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 31.2 mtmm -86.17 112.34 21.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.723 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.433 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 3.5 p90 -125.9 162.77 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.189 0.519 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.7 p -87.49 171.36 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.899 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.67 25.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.677 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.44 -17.38 22.54 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.8 29.46 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.0 0.429 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.83 167.06 36.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.398 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.52 171.13 22.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.778 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.833 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 37.7 mtt . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.083 0.468 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.463 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 20.3 m95 -100.2 142.43 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.301 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.449 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 16.5 t -124.96 126.13 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.4 p -60.15 155.02 18.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.19 0.519 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.7 m-20 -54.32 -19.16 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.964 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.1 -33.25 29.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.449 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 23.3 m -89.54 -35.76 15.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.326 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -63.21 -36.08 82.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.976 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -90.25 -33.41 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -74.16 -25.97 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -85.23 -9.26 57.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.813 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.898 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.441 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo . . . . . 0 N--CA 1.458 -0.609 0 N-CA-C 111.323 -0.299 . . . . 0.0 111.323 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.2 p -133.47 149.84 51.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.497 0.665 . . . . 0.0 112.73 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 52.9 t -72.45 136.64 46.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.456 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.02 11.99 51.79 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.804 -0.713 . . . . 0.0 113.413 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.3 mp -119.31 -69.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.831 0.348 . . . . 0.0 110.761 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.8 p -88.67 -10.12 49.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.633 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.1 m80 48.66 25.64 1.03 Allowed 'General case' 0 C--N 1.335 -0.041 0 CA-C-O 120.736 0.303 . . . . 0.0 111.397 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -112.92 -58.14 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 96.9 m -63.12 111.82 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.198 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -94.36 126.89 39.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.228 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.493 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.493 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.179 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.493 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 39.7 m80 -96.14 118.23 32.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.327 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -106.81 135.22 48.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.308 -179.012 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 37.6 t -56.32 125.21 20.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.1 t -58.75 -17.75 25.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 -75.17 0.64 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 111.366 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.3 m -59.61 -24.66 63.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 71.1 mm-40 73.09 4.91 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 84.9 m -66.41 142.38 57.61 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 110.89 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 33.1 mtmt -84.76 108.43 17.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -123.48 163.82 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.171 0.51 . . . . 0.0 111.397 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 31.7 p -86.52 169.52 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.714 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.795 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -94.45 -16.85 23.01 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 65.7 m -107.5 31.54 5.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.069 0.462 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -179.8 167.08 36.65 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.125 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.07 153.82 17.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.835 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 69.0 ttt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mtm . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 121.085 0.469 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.493 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 41.2 m95 -114.09 135.01 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 38.8 t -119.03 130.86 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.7 p -64.53 155.97 31.28 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.193 0.521 . . . . 0.0 111.324 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.9 m-20 -52.62 -21.37 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.08 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mt -82.9 -33.7 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 110.791 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.472 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 41.6 m -89.26 -36.1 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -62.72 -40.97 98.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.88 -48.64 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.75 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -75.62 -21.55 57.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 61.5 tt0 -78.55 -18.14 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.379 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.883 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.4 Cg_exo . . . . . 0 N--CA 1.458 -0.567 0 N-CA-C 111.178 -0.354 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.7 p -137.54 147.23 44.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.506 0.67 . . . . 0.0 112.725 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.3 t -69.08 138.4 54.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.947 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.61 19.44 28.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.201 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -126.4 -68.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -90.27 -11.0 42.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.498 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 48.26 28.71 1.67 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.72 0.295 . . . . 0.0 111.492 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -113.63 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -63.02 114.62 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.0 mtmm -94.22 124.64 38.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.455 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.488 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.0 m-85 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.903 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.148 0 CA-C-O 120.756 0.087 . . . . 0.0 113.079 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -100.0 116.75 32.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.903 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.25 131.79 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 33.7 t -55.16 125.88 22.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.474 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.1 p -63.31 -13.06 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.416 ' CE2' HG22 ' A' ' 133' ' ' VAL . 95.2 m-85 -104.17 -81.93 0.51 Allowed 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.7 p -74.89 -0.24 17.89 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 64.5 14.38 8.86 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.9 m -64.13 131.37 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.703 0.287 . . . . 0.0 110.699 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -83.11 109.64 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 7.2 p90 -127.26 163.93 22.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 111.785 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.3 p -86.36 171.76 10.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.711 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.47 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.404 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 14.6 ptp180 -95.58 -11.94 26.5 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.3 m -108.26 33.0 4.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.389 . . . . 0.0 111.304 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.458 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -166.09 -154.18 8.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.422 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -150.32 151.45 23.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.819 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.711 0.291 . . . . 0.0 110.906 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.83 0.348 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -124.07 145.72 49.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.34 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 87.5 t -125.26 126.58 71.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 27.3 p -60.51 154.05 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.288 0.566 . . . . 0.0 111.402 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.8 m-20 -54.21 -18.27 3.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.247 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.83 -37.57 29.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.423 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 98.5 m -89.12 -35.03 16.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.302 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -62.1 -35.24 78.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -71.15 -32.42 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -110.79 26.61 10.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.22 -179.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo . . . . . 0 N--CA 1.46 -0.466 0 N-CA-C 111.363 -0.283 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.0 p -136.4 152.3 50.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 112.971 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.41 135.16 38.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.413 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.98 9.24 57.63 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.343 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 3.8 mp -115.3 -70.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.743 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -88.71 -14.95 36.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.665 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 57.8 t-80 53.67 22.12 2.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -107.41 -59.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.5 m -63.22 113.07 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 9.2 mtmp? -96.48 121.82 38.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.33 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.2 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.513 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.745 -0.142 . . . . 0.0 112.745 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 77.9 m-70 -97.31 117.57 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.68 130.29 52.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.021 0.438 . . . . 0.0 111.364 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 33.6 t -54.71 123.64 13.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.0 t -58.95 -17.46 24.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.182 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -106.86 -74.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.835 0.35 . . . . 0.0 111.383 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 5.7 m -60.34 -24.83 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.481 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 63.4 mm-40 74.3 2.77 4.21 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.1 m -66.91 141.61 57.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.22 118.34 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.2 p90 -131.48 163.52 27.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.415 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 26.7 p -86.68 171.84 10.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.16 -16.96 23.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.404 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -94.1 -19.66 20.61 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 57.9 m -104.7 23.9 12.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.367 . . . . 0.0 111.217 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -178.48 -178.28 47.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.601 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -145.74 164.28 28.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.562 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.822 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.994 0.426 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 33.0 m95 -99.27 151.65 20.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.461 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 45.4 t -134.61 123.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.747 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.4 p -58.93 155.56 13.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.234 0.54 . . . . 0.0 111.431 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -56.08 -17.39 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.043 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.9 mt -82.99 -32.88 26.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -89.15 -41.39 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.386 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -63.05 -33.15 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.689 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -85.23 -56.29 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -52.49 -28.49 20.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -80.94 -6.58 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.579 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.484 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 5.5 Cg_exo . . . . . 0 N--CA 1.464 -0.213 0 N-CA-C 111.693 -0.157 . . . . 0.0 111.693 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 p -136.15 156.09 49.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.551 0.691 . . . . 0.0 112.754 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.7 t -79.21 123.2 27.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.375 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.37 0.98 45.43 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.505 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -101.32 -72.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.892 0.346 . . . . 0.0 110.646 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.6 p -90.66 -14.29 32.59 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 59.88 26.75 16.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.712 0.291 . . . . 0.0 111.309 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -113.76 -65.19 1.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.3 m -63.2 119.45 9.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -94.93 140.35 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.944 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.506 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.8 m-85 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.506 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.202 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -95.43 126.85 41.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.719 0.295 . . . . 0.0 110.331 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -113.42 131.21 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 111.432 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.6 t -55.04 124.95 18.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.1 t -58.71 -18.53 32.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -107.45 -74.64 0.65 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 9.4 m -58.13 -25.67 61.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.619 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 70.8 mm-40 72.63 3.89 4.82 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.469 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.7 m -68.38 146.69 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 120.704 0.287 . . . . 0.0 111.088 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -86.06 111.73 20.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.524 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -125.01 163.15 22.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.081 0.467 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.9 p -87.07 168.47 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.998 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.26 -19.68 15.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.552 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -92.79 -13.48 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.5 m -107.38 25.73 11.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.8 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.76 -167.2 32.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.32 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -147.32 156.36 26.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.656 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.407 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 62.2 ttp180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 121.136 0.494 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.407 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 23.9 m95 -103.2 142.38 34.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.214 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 34.8 t -123.96 122.91 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.3 154.55 13.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.283 0.563 . . . . 0.0 111.33 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 4.6 m-20 -54.87 -19.25 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.868 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.68 -31.23 32.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.424 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 50.0 m -89.47 -35.33 16.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.75 -35.6 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -90.68 -30.73 16.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -75.45 -24.17 56.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.42 21.85 7.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.073 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.421 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 4.3 Cg_endo . . . . . 0 N--CA 1.458 -0.615 0 N-CA-C 111.3 -0.308 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -135.39 145.09 46.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.7 t -66.85 130.66 43.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.789 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.77 1.16 59.43 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.455 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.1 mp -109.31 -73.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.739 0.27 . . . . 0.0 111.443 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.9 p -87.07 -12.55 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.762 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 36.8 t-80 51.23 27.71 3.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.725 0.298 . . . . 0.0 111.272 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -109.03 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.2 m -63.5 114.73 4.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.077 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 63.2 mttp -95.98 123.3 39.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.271 179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.493 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.4 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.69 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.493 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.455 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 94.8 m-70 -99.92 125.56 45.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -113.94 129.17 56.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 36.8 t -54.08 126.15 21.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.236 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 t -63.98 -12.19 35.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.404 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.9 m-85 -103.6 -78.34 0.55 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.33 5.38 14.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.8 mp0 58.52 16.13 4.03 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.2 m -64.38 129.43 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 110.838 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -82.5 109.32 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.233 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 5.5 p90 -127.83 164.62 21.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.263 0.554 . . . . 0.0 111.737 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.27 166.54 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.496 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -17.4 15.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.953 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 118' ' ' ARG . 11.0 mtp-105 -95.15 -12.46 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.8 m -112.39 29.88 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -163.68 -170.16 28.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.99 150.02 19.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.802 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 110.798 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 43.8 mtt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.954 0.407 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.455 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 46.3 m95 -123.88 141.32 52.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.0 t -130.27 126.03 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.61 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.484 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 32.0 p -58.2 151.13 19.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.531 . . . . 0.0 111.369 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -54.22 -17.71 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.476 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.28 -36.59 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 51.2 m -85.57 -38.04 18.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.09 -38.72 92.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.655 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -65.0 -55.12 20.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.82 -23.19 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -95.8 -4.81 43.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.658 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.441 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo . . . . . 0 N--CA 1.457 -0.628 0 N-CA-C 111.354 -0.287 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -135.37 149.22 49.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.552 0.691 . . . . 0.0 112.641 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 50.0 t -70.67 135.9 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.471 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.89 9.02 55.03 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.398 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 115' ' ' PHE . 4.2 mp -117.83 -72.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.2 p -88.08 -6.78 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.885 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 28.5 p80 44.98 27.61 0.3 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -110.61 -56.81 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -63.11 113.53 3.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.026 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 23.6 mtpp -94.1 119.03 32.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.0 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 120.753 0.085 . . . . 0.0 112.909 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.551 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 88.4 m-70 -97.7 124.6 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 110.596 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -113.93 134.08 55.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 27.4 t -55.23 122.73 11.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.1 t -58.94 -17.54 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.139 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.25 -74.98 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.579 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 8.4 m -59.33 -24.89 63.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.59 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 18.7 mm-40 75.44 2.48 3.83 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.4 m -65.71 141.99 58.17 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.9 112.73 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.415 ' HB3' HD12 ' A' ' 94' ' ' ILE . 4.9 p90 -128.44 162.96 25.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.279 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 31.7 p -86.95 170.87 11.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.75 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.19 -15.34 23.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.702 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -93.52 -17.65 23.15 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 88.4 m -109.22 35.69 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.84 -153.52 10.86 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.213 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.66 152.63 23.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.042 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.662 0.268 . . . . 0.0 110.781 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 12.4 ptp . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.944 0.402 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.551 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 40.8 m95 -105.83 149.66 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.84 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 40.0 t -132.76 123.58 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.616 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 18.7 p -60.77 155.62 18.93 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.226 0.536 . . . . 0.0 111.797 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -55.38 -18.64 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.019 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.93 -32.35 34.66 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 110.145 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.441 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 56.0 m -88.9 -36.86 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.06 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.01 -30.11 71.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.636 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -88.63 -51.3 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.18 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -96.16 21.12 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.082 179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.1 Cg_exo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 110.464 -0.629 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 p -133.41 146.87 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.06 138.39 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.513 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.1 14.29 44.98 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.481 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.437 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.6 mp -121.8 -69.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.4 p -89.33 -8.36 53.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.649 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 16.4 p80 44.84 27.56 0.28 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.663 0.268 . . . . 0.0 111.662 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -113.09 -58.14 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.4 m -63.27 115.0 4.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.994 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 51.9 mttp -93.32 126.31 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.342 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.496 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 10.3 m-85 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.811 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.496 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.239 0 N-CA-C 112.633 -0.187 . . . . 0.0 112.633 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 30.3 m80 -95.76 124.58 39.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.782 0.325 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -113.43 134.12 54.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 34.7 t -56.76 123.51 15.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.754 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 132' ' ' TRP . 46.6 t -59.53 -16.97 28.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.955 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -105.18 -75.3 0.63 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.884 0.374 . . . . 0.0 111.458 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 4.8 m -61.81 -23.97 66.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.718 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 19.3 mm-40 74.12 3.81 4.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.345 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 88.9 m -66.44 146.49 54.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.871 0.367 . . . . 0.0 111.202 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -86.73 113.34 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.4 p90 -126.96 163.08 24.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.221 0.534 . . . . 0.0 111.462 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 31.4 p -87.37 171.59 10.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.681 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.71 -18.61 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -96.33 -14.49 22.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 57.9 m -109.16 33.57 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.13 -157.77 14.76 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.373 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -157.4 160.3 30.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.641 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.731 0.301 . . . . 0.0 110.733 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 41.4 mtt . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 121.164 0.507 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.558 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 56.8 m95 -107.57 139.64 41.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.158 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 92.4 t -130.2 127.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.421 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 25.0 p -58.15 153.8 14.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.294 0.568 . . . . 0.0 111.741 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -54.78 -18.95 5.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.985 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.65 -33.59 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.179 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.472 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 23.3 m -89.25 -36.22 15.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.207 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -62.43 -34.82 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.697 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -87.0 -48.63 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -54.04 -23.97 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -106.25 0.5 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.716 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.428 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 6.3 Cg_endo . . . . . 0 N--CA 1.454 -0.8 0 N-CA-C 111.087 -0.39 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 p -137.09 148.17 46.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.57 138.14 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.185 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 114' ' ' LYS . . . -86.55 15.27 52.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.558 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 94' ' ' ILE . 4.8 mp -124.3 -56.79 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.939 0.399 . . . . 0.0 110.74 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.67 -26.28 24.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 60.61 22.9 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.513 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -130.63 -46.35 1.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.702 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.9 m -63.14 111.55 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 17.8 mtpp -93.98 128.33 40.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.854 0.359 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.492 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.492 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.8 127.15 42.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.704 0.288 . . . . 0.0 110.322 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -112.17 127.73 56.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 33.7 t -54.77 124.22 15.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.4 t -63.76 -12.23 33.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.639 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.413 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 97.0 m-85 -102.75 -79.23 0.53 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.9 p -79.98 5.03 15.09 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.9 mp0 59.88 14.72 4.41 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.3 m -65.73 133.38 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.467 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 93.6 mttt -84.13 114.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.111 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 11.5 p90 -131.17 163.5 27.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.116 0.484 . . . . 0.0 111.35 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.6 p -86.27 167.64 14.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.687 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.42 -17.45 8.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.122 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -93.66 -14.67 26.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.412 ' CB ' HD12 ' A' ' 94' ' ' ILE . 94.4 m -110.21 38.6 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 111.254 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.413 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 177.71 166.86 34.99 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.4 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -119.3 159.01 14.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.825 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.6 ptp . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 121.09 0.471 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -108.92 149.71 28.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.564 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.2 125.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.7 p -60.91 155.56 19.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.604 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.78 -15.58 8.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.218 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.29 -35.51 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 110.671 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 92.0 m -89.36 -34.06 16.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -63.71 -38.5 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.022 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.01 -55.04 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -55.01 -22.64 16.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.285 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.94 -0.27 27.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.741 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.973 -179.88 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.432 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 5.8 Cg_exo . . . . . 0 N--CA 1.461 -0.399 0 N-CA-C 111.227 -0.336 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.6 p -134.83 149.74 50.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 0.0 112.703 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.16 136.44 44.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.594 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.15 12.32 50.7 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.344 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.442 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.4 mp -119.56 -69.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -88.78 -11.05 46.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.763 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.3 m80 49.78 24.67 1.31 Allowed 'General case' 0 N--CA 1.46 0.062 0 CA-C-O 120.756 0.312 . . . . 0.0 111.465 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -112.24 -59.02 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.8 m -63.12 109.47 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.6 mtpt -93.14 122.91 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.497 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.684 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.649 -0.181 . . . . 0.0 112.649 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.407 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 80.5 m-70 -97.11 125.88 41.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -112.9 128.82 56.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.151 0.501 . . . . 0.0 111.018 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 35.6 t -55.31 124.99 18.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.307 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.6 t -64.19 -11.64 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.778 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.7 m-85 -105.64 -79.21 0.56 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.4 p -77.67 2.27 17.26 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.7 mp0 62.9 12.83 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.5 m -65.01 133.62 52.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 111.053 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -83.27 114.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.147 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CE2' ' N ' ' A' ' 134' ' ' CYS . 8.9 p90 -131.72 163.62 27.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.196 0.522 . . . . 0.0 111.771 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.3 p -86.84 168.18 13.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.472 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.31 -16.97 16.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.802 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -93.49 -16.98 23.93 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.9 m -108.04 37.6 2.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.039 0.447 . . . . 0.0 110.877 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.6 -156.83 16.34 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.292 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.26 155.89 26.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.601 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 110.654 179.813 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.1 ptp . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 121.155 0.502 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' SER . 45.0 m95 -109.83 140.25 43.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.347 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 64.3 t -129.67 128.91 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.822 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.501 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 31.6 p -58.87 153.18 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 0.0 111.14 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -57.15 -16.07 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.057 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.4 mt -82.0 -35.3 29.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.685 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.413 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 57.7 m -89.41 -36.82 15.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -62.99 -37.68 88.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -88.39 -50.6 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 28.8 tt0 -53.01 -28.83 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.01 16.27 25.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.385 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.676 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo . . . . . 0 N--CA 1.457 -0.657 0 N-CA-C 111.118 -0.378 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.6 p -139.42 152.42 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.28 134.55 42.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.401 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.34 8.57 60.88 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.622 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.1 mp -117.01 -56.03 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.9 m -84.91 -25.27 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 54.1 t-80 61.65 18.6 9.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.11 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -132.67 -43.71 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 0.0 110.788 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.6 m -62.6 108.44 1.14 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.8 mttp -94.27 132.98 38.29 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.493 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 5.2 m-85 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.196 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.493 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.229 0 CA-C-O 120.796 0.109 . . . . 0.0 113.039 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 39.0 m80 -99.78 132.35 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 110.793 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.79 126.6 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.097 0.475 . . . . 0.0 110.703 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 34.3 t -54.44 125.98 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.736 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 132' ' ' TRP . 31.2 t -63.73 -12.99 39.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.672 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 141' ' ' GLN . 93.0 m-85 -104.57 -84.11 0.49 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.91 -4.57 25.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 72.6 mm-40 67.19 10.1 7.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 m -65.02 133.94 52.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.291 . . . . 0.0 110.926 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -83.18 117.97 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.481 ' CE2' ' N ' ' A' ' 134' ' ' CYS . 6.2 p90 -128.24 163.39 24.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.526 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 31.6 p -86.97 171.98 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.71 -19.47 16.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.602 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -94.69 -16.13 23.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 65.1 m -107.93 29.03 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.84 163.22 30.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.787 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -126.08 165.32 19.31 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.378 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.428 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 68.8 ttp85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.518 -0.272 0 CA-C-O 121.133 0.492 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 35.5 m95 -102.84 137.79 40.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.318 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.5 t -131.78 134.0 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.717 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.481 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 29.1 p -59.85 151.92 24.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.145 0.498 . . . . 0.0 111.017 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -54.93 -18.55 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.131 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -81.48 -37.62 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 58.4 m -88.51 -34.77 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.071 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -63.37 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -84.49 -40.45 17.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -66.24 -34.75 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.911 179.445 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.491 ' HG2' ' CZ ' ' A' ' 110' ' ' TYR . 2.1 mp0 -95.33 11.06 33.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.44 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.933 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 3.4 Cg_endo . . . . . 0 N--CA 1.456 -0.686 0 N-CA-C 111.232 -0.334 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.0 p -139.32 146.39 40.25 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.4 t -64.54 133.69 52.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.67 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.09 3.62 61.04 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.93 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.2 mp -114.92 -55.88 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.02 -23.98 28.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 57.05 22.03 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -129.77 -48.44 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.401 . . . . 0.0 110.751 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.8 m -62.8 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.353 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.1 mtmm -94.22 130.01 40.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.949 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.488 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 13.1 m-85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.853 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 66.3 m80 -98.83 124.9 44.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.937 0.398 . . . . 0.0 110.483 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -113.3 129.38 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.83 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.4 t -54.77 124.0 15.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.53 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.439 ' CB ' ' HE3' ' A' ' 131' ' ' MET . 96.2 p -63.33 -13.44 39.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.496 ' CE1' ' NE2' ' A' ' 141' ' ' GLN . 97.3 m-85 -103.1 -82.2 0.49 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.9 p -77.58 3.63 13.25 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 27.1 mp0 62.5 12.48 5.44 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.7 m -64.31 127.57 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 0.0 110.765 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -81.5 112.09 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.494 . . . . 0.0 110.24 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 9.2 p90 -124.84 163.67 21.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.618 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.2 p -86.7 170.94 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.368 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.41 -19.11 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.841 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.43 -15.99 22.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 71.6 m -107.98 34.08 3.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.952 0.406 . . . . 0.0 111.489 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.454 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -177.14 177.95 48.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.23 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.92 155.23 23.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.87 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.491 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 56.8 ttp180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.439 ' HE3' ' CB ' ' A' ' 109' ' ' SER . 44.7 mtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.885 0.374 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.563 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 18.8 m95 -115.21 143.74 44.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 85.5 t -125.38 129.14 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.68 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.488 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.4 p -63.2 153.98 32.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.268 0.556 . . . . 0.0 111.287 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.9 m-20 -54.38 -18.49 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.357 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.74 -38.39 28.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.039 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.439 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 90.0 m -85.81 -33.9 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.988 0.423 . . . . 0.0 110.172 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.07 -32.14 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.882 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -90.75 -46.31 8.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -67.85 -32.76 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.496 ' NE2' ' CE1' ' A' ' 110' ' ' TYR . 19.8 pt20 -147.32 57.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.432 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 2.0 Cg_endo . . . . . 0 N--CA 1.458 -0.588 0 N-CA-C 110.939 -0.446 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -138.39 147.63 43.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.492 0.663 . . . . 0.0 112.784 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.5 t -68.65 135.49 51.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.632 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.84 19.65 24.11 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.587 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.6 mp -123.56 -67.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.5 p -88.71 -19.36 26.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.419 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 13.5 t-160 56.13 37.84 29.25 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.053 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -126.28 -54.52 1.47 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.321 . . . . 0.0 111.118 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.2 m -63.61 118.76 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -97.08 123.88 40.95 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.491 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 12.3 m-85 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.491 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.117 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 41.2 m80 -96.28 120.84 37.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.497 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -113.57 133.68 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 33.4 t -55.02 125.64 21.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.563 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.1 t -58.74 -17.5 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -108.05 -72.44 0.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.88 0.371 . . . . 0.0 111.365 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 8.2 m -60.54 -24.43 65.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.518 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 82.3 mm-40 68.99 7.69 6.39 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.27 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.7 m -67.13 143.96 56.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -85.0 110.29 18.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.734 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -126.97 163.48 23.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.241 0.544 . . . . 0.0 111.673 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.8 p -87.16 171.79 10.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.604 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.48 -13.12 26.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.972 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -95.53 -14.83 23.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.65 29.7 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 111.31 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.5 -177.27 41.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.326 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -139.55 153.57 23.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 44.9 mtp . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.017 0.437 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.534 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 29.3 m95 -101.51 136.95 40.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.957 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.6 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.655 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.6 p -58.13 152.5 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -54.01 -20.34 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.889 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.1 mt -80.2 -32.96 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.031 0.443 . . . . 0.0 110.068 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.48 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 19.2 m -89.65 -28.42 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.138 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.66 -41.04 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -91.25 -44.55 9.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 53.6 tt0 -61.54 -33.39 73.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -117.35 16.67 14.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.465 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.213 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.408 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 1.2 Cg_endo . . . . . 0 N--CA 1.457 -0.63 0 N-CA-C 111.387 -0.274 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -137.54 148.58 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 47.6 t -71.51 138.0 48.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.618 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.92 59.99 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.494 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.3 mp -121.38 -55.83 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.835 0.35 . . . . 0.0 110.755 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.74 -24.32 25.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 57.13 22.24 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -131.59 -49.22 0.97 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.4 m -62.83 108.05 1.11 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.259 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 33.6 mtmm -93.21 130.41 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.04 0.448 . . . . 0.0 110.586 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.496 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.2 m-85 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.306 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.496 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.144 0 CA-C-O 120.883 0.157 . . . . 0.0 113.077 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.557 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 44.6 m80 -98.93 130.9 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.633 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.42 129.46 55.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.129 0.49 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.1 t -55.14 125.94 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.271 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' TRP . 23.8 t -62.94 -13.49 35.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.626 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.84 -84.0 0.48 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -71.69 -3.24 20.69 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 66.03 12.83 8.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 31.7 m -64.64 133.72 52.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.0 mttp -83.16 115.01 21.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.482 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 5.5 p90 -128.83 163.22 25.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.1 p -87.41 172.04 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.926 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.45 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.402 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 16.5 ptm180 -95.27 -11.76 27.37 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 55.2 m -104.71 31.83 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.267 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.482 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -169.66 -167.22 29.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.536 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -150.61 142.0 9.21 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.687 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.475 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 10.4 ptp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.801 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.9 ptt? . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 121.252 0.549 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.557 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 37.9 m95 -106.08 137.46 43.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.305 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.86 131.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.67 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.4 p -59.01 150.08 25.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.024 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -54.22 -17.36 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.42 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 mt -82.31 -40.15 21.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.71 -37.92 22.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 0.0 110.298 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -64.24 -34.58 78.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.28 -55.27 3.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -50.8 -31.67 17.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.257 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -124.64 34.86 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.075 0.464 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.021 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.445 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.6 Cg_endo . . . . . 0 N--CA 1.458 -0.606 0 N-CA-C 111.504 -0.229 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 p -133.13 147.76 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.369 0.604 . . . . 0.0 112.468 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.6 t -70.61 130.26 41.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.463 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.74 -0.36 59.06 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.341 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 1.9 mp -108.31 -72.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.73 0.265 . . . . 0.0 111.439 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -87.5 -10.44 51.74 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.5 m80 49.87 24.98 1.43 Allowed 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.675 0.274 . . . . 0.0 111.496 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -108.07 -63.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.8 m -63.31 117.15 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.034 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -94.8 123.38 38.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.252 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.496 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.4 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.496 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.221 0 CA-C-O 120.837 0.132 . . . . 0.0 112.848 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.422 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 77.0 m-70 -95.73 120.85 36.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.947 0.403 . . . . 0.0 110.43 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -110.47 132.28 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.973 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 20.9 t -55.68 122.37 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.251 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 34.3 t -58.02 -18.88 27.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -104.62 -74.81 0.64 Allowed 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.381 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 5.8 m -59.9 -25.26 64.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.686 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 73.9 mm-40 73.34 4.05 4.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 57.7 m -67.72 145.52 54.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.855 0.36 . . . . 0.0 111.143 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 45.3 mtmt -86.14 114.64 23.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.487 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.9 p90 -128.96 163.0 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.196 0.522 . . . . 0.0 111.274 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.2 p -88.1 171.67 10.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.571 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.43 26.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.529 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 118' ' ' ARG . 13.6 mmp_? -92.58 -20.84 20.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.327 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 68.7 m -105.24 25.08 11.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.96 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.487 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -171.04 176.89 44.26 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.492 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -134.71 157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 4.3 ptm85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 110.732 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 22.0 ptt? . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 121.164 0.507 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.468 ' CZ2' ' HB3' ' A' ' 122' ' ' ARG . 18.7 m95 -101.47 142.7 32.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.545 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.479 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.8 t -128.18 128.26 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.354 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.2 p -57.87 152.7 15.45 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.152 0.501 . . . . 0.0 111.72 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -55.53 -18.95 8.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.746 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.95 -31.54 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.045 0.45 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.479 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 15.6 m -89.59 -31.01 17.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 178.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.18 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -88.85 -45.3 9.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.548 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -79.06 -37.15 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 137' ' ' CYS . 15.1 mm100 -112.24 25.45 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.491 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.165 -0.922 . . . . 0.0 111.066 179.676 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.25 119.42 13.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.56 98.41 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -124.69 25.34 7.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.69 20.79 78.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.736 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -80.6 124.98 29.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.31 166.05 38.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo -83.7 130.71 5.19 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.24 2.626 . . . . 0.0 111.523 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -134.9 149.66 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.511 0.672 . . . . 0.0 112.711 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 52.6 t -73.13 136.04 44.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.355 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.62 13.31 48.06 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.311 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.5 mp -119.41 -69.26 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.1 p -88.95 -14.11 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.5 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 33.4 t-80 52.97 23.49 2.91 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -111.18 -58.16 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.909 0.385 . . . . 0.0 110.622 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.8 m -63.22 112.19 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.5 mtmt -94.17 124.32 38.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.216 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.49 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 -56.18 169.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.16 -171.35 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.278 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -58.18 94.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.49 -105.96 0.58 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.623 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.5 p -142.6 140.0 31.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -80.71 -136.17 1.72 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.797 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.42 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 66.5 m-70 -96.68 121.38 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.709 0.29 . . . . 0.0 110.638 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -110.03 129.9 55.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 29.9 t -54.7 122.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.5 t -59.41 -17.31 29.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.94 -77.69 0.58 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.356 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.8 m -58.46 -24.73 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.688 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 63.2 mm-40 74.97 2.83 4.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.8 m -67.68 145.19 55.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 111.302 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.3 mttp -86.6 116.39 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.8 p90 -130.53 163.26 27.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 111.309 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.8 p -86.88 171.79 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.735 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.12 -15.87 27.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.977 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -94.42 -17.94 22.02 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 93.2 m -106.84 29.21 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 111.175 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -173.22 -172.07 38.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.593 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.92 158.01 27.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.437 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -88.54 121.83 31.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.7 t -136.62 92.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.5 m -91.42 131.79 36.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.043 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.2 mt -92.66 79.14 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.084 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 67.19 135.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.839 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 63.8 m -44.08 97.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.073 0.463 . . . . 0.0 111.458 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.5 t30 179.82 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -154.86 127.6 8.07 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.365 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.5 t -96.3 118.47 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.99 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 54.2 mtt -113.39 143.34 44.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.42 ' CE2' ' ND1' ' A' ' 106' ' ' HIS . 39.9 m95 -114.57 131.48 56.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.47 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 65.5 t -118.68 125.22 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.755 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.2 p -58.42 155.02 12.63 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.165 0.507 . . . . 0.0 111.577 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -55.9 -18.56 9.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.814 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.99 -31.17 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.47 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 22.4 m -89.65 -45.08 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.439 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.02 -29.2 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -88.77 -51.75 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.0 -33.17 75.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.42 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -89.31 9.71 25.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.506 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.908 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.872 0.368 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -156.57 126.37 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -154.49 -77.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.63 177.75 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.43 -98.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.566 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -125.14 128.12 47.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.96 162.82 66.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.986 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 1.8 Cg_endo -83.62 137.31 7.81 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.05 2.5 . . . . 0.0 111.702 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 p -137.24 147.13 45.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.891 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 44.2 t -68.05 136.66 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.679 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.57 16.6 34.66 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.3 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.6 mp -124.45 -70.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 110.587 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.7 p -90.13 -8.2 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.842 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 13.4 p80 45.39 29.55 0.59 Allowed 'General case' 0 C--O 1.231 0.097 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -111.17 -61.12 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.746 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.4 m -63.37 116.69 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.26 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -95.12 124.75 39.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.485 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 -61.92 179.39 0.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.522 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 102' ' ' ASP . . . -129.9 157.01 43.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.513 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 101' ' ' ALA . 18.6 t70 69.72 6.7 5.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.716 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.28 -36.69 4.19 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.45 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 43.0 t -142.16 140.49 32.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.035 0.417 . . . . 0.0 111.449 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.485 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -98.91 -129.33 6.48 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.25 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.589 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 14.0 m80 -98.22 117.75 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -109.55 137.66 47.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.891 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.893 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.4 t -55.33 126.26 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.2 t -58.39 -18.26 26.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.274 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -111.11 -73.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.275 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 11.9 m -56.17 -24.42 41.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.36 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 29.1 mm-40 69.42 5.66 5.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.705 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.9 m -67.26 143.44 56.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.471 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 94.2 mttt -85.27 113.75 21.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.969 0.414 . . . . 0.0 110.702 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.7 p90 -130.62 163.43 27.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.564 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.35 172.07 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.987 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.9 34.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -92.12 -18.18 23.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.503 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 94.6 m -110.12 35.55 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 174.83 163.19 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.611 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -118.48 148.32 18.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.438 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 57.2 ttp180 -88.73 133.3 34.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.9 t -132.13 123.37 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.3 t -93.86 136.72 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.8 mt -93.58 -46.66 7.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -139.99 -60.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 87.5 p -175.26 -38.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.02 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -105.07 -26.32 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.19 95.57 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.811 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.58 141.23 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.37 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.2 ptm -141.79 145.8 35.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.589 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 41.0 m95 -118.2 133.52 55.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 138' ' ' ARG . 53.0 t -114.07 121.6 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.0 p -63.07 156.91 23.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.087 0.47 . . . . 0.0 110.921 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -54.36 -19.32 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.17 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.24 -36.53 27.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 110.697 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 86.2 m -89.1 -34.63 16.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.32 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.437 ' N ' HG12 ' A' ' 133' ' ' VAL . 60.2 ttp180 -62.95 -39.27 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.015 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -77.91 -45.12 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.76 -28.0 68.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.98 -9.96 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.407 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.813 179.794 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.891 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.893 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -131.93 114.84 15.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -136.72 174.05 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -133.98 32.82 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.48 96.23 0.1 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.776 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -92.71 144.77 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.587 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' HB1' ' NZ ' ' A' ' 99' ' ' LYS . . . -70.3 162.7 68.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.3 Cg_endo -84.0 131.31 5.12 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.33 2.687 . . . . 0.0 111.594 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 p -135.88 148.02 48.44 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.888 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 53.6 t -68.79 137.23 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.89 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.63 12.74 50.93 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.332 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.4 mp -120.72 -70.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.615 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.7 p -89.41 -9.25 50.94 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.611 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 21.7 p80 45.24 33.2 1.12 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.596 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -117.33 -58.18 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.786 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 83.0 m -63.17 121.18 13.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.275 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 19.1 mtpp -92.47 123.03 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.053 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.494 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 12.9 m-85 -51.57 174.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.164 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.12 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.417 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -128.1 -37.36 1.89 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.548 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.41 -60.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.995 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 75.4 m -100.15 93.9 5.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.637 0.256 . . . . 0.0 111.508 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.494 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -73.57 -127.73 0.13 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.468 -0.873 . . . . 0.0 112.222 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -99.09 117.46 33.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.274 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -107.98 134.47 50.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.898 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 25.4 t -55.8 121.95 10.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.4 t -58.77 -17.87 26.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -104.46 -76.54 0.6 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.75 0.309 . . . . 0.0 111.449 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -59.12 -24.51 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 75.62 1.77 3.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.145 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.6 m -66.12 144.27 56.78 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.872 0.368 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 45.7 mtmt -86.42 114.05 22.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.444 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -128.74 163.67 24.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.7 171.38 11.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.652 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.74 -14.78 35.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.741 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -94.59 -17.99 21.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 66.0 m -106.91 34.73 3.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.059 0.457 . . . . 0.0 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.17 179.27 47.35 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -131.92 161.73 23.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.692 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.406 ' HG2' ' CZ2' ' A' ' 132' ' ' TRP . 98.7 mtt180 -88.02 131.68 34.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 110.778 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.9 t -133.07 120.07 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.255 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -92.68 131.2 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.684 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -146.52 167.79 22.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.063 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 54.15 -170.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.027 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 83.9 p -44.02 -49.01 8.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.575 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -176.83 39.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -86.69 140.08 30.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.566 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.8 t -97.61 129.28 47.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.58 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtt -138.72 140.0 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.747 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 44.2 m95 -108.48 144.34 36.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.397 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.0 t -130.25 124.02 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.58 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.2 p -58.0 154.37 12.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.324 0.583 . . . . 0.0 111.776 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -56.13 -17.24 6.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.119 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.66 -34.23 30.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.197 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.458 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -86.65 -30.21 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.109 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.204 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -86.74 -48.37 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.27 -24.12 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -109.72 13.84 23.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.498 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.949 179.701 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.888 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.898 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.871 0.367 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -130.45 57.94 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -103.65 84.92 2.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -90.8 131.01 36.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.34 71.49 1.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.555 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.53 124.53 47.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.778 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.02 161.27 79.13 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.991 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.462 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.9 Cg_endo -84.29 123.44 3.04 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.337 2.691 . . . . 0.0 111.327 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 7.0 p -137.57 148.34 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 42.1 t -74.49 135.89 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.776 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.35 10.63 58.35 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.284 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.1 mp -117.52 -67.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.716 0.293 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -90.81 -12.54 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.862 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 m80 50.51 24.37 1.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.726 0.298 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -110.19 -61.96 1.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.0 m -63.1 114.62 3.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.935 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.4 mtpt -92.6 123.24 35.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.544 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 5.4 m-85 -54.44 174.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.38 144.15 33.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.684 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 45.88 27.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 57.21 44.6 93.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.964 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 53.1 t -146.66 56.15 1.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 122.81 -0.23 . . . . 0.0 111.373 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.544 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -62.94 -164.18 0.45 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.988 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 60.4 m-70 -99.68 115.43 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 110.114 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -103.86 136.5 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.169 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.893 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 25.7 t -54.2 125.78 20.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t -59.1 -17.42 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.423 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -111.34 -72.15 0.73 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.655 0.264 . . . . 0.0 111.386 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 14.6 m -57.23 -25.29 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 79.4 mm-40 71.03 4.64 5.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.648 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.9 m -67.07 141.97 57.3 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.636 0.255 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -84.49 115.46 22.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.475 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -132.0 163.7 27.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.182 0.515 . . . . 0.0 111.707 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.7 170.43 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.73 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.16 -15.64 25.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.612 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -92.4 -18.71 22.91 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.415 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 71.3 m -107.1 29.62 6.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.023 0.44 . . . . 0.0 110.933 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.475 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 176.79 171.83 40.81 Favored Glycine 0 CA--C 1.517 0.177 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.266 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.84 153.46 17.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.822 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.488 ' HB3' ' CH2' ' A' ' 132' ' ' TRP . 37.9 ptt180 -89.48 128.43 35.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.709 0.29 . . . . 0.0 110.732 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 48.8 t -136.6 93.49 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.303 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.4 p -93.22 112.22 24.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.652 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.424 HD11 ' CE ' ' A' ' 131' ' ' MET . 83.0 mt -92.95 140.4 29.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.115 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 63.75 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.2 m -169.74 -53.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 111.163 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -90.58 -17.3 27.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.398 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -84.48 91.66 7.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.985 0.421 . . . . 0.0 111.142 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t -98.7 124.79 52.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.424 ' CE ' HD11 ' A' ' 125' ' ' LEU . 20.3 ptp -139.62 152.26 46.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.723 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.573 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 24.6 m95 -123.99 151.7 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 111.357 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.42 120.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.449 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 17.8 p -67.21 157.37 33.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 0.0 110.803 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -54.16 -19.13 4.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.239 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.25 -37.28 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 94.9 m -86.57 -32.88 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.313 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -62.53 -40.6 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.55 -43.12 13.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.08 -25.08 66.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 141' ' ' GLN . 34.4 tt0 -112.19 11.5 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.232 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.893 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.834 0.349 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -101.94 97.92 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -96.4 146.29 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.036 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -148.54 92.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.77 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.24 167.96 20.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.404 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -63.19 126.09 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.382 . . . . 0.0 110.707 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.84 166.0 36.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo -81.3 146.89 15.86 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.123 2.549 . . . . 0.0 111.667 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.6 p -138.37 153.29 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.528 0.68 . . . . 0.0 112.789 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.892 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 43.5 t -74.78 138.07 42.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.623 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.15 16.79 36.33 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.364 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.7 mp -123.84 -70.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.963 0.411 . . . . 0.0 110.576 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.7 p -89.82 -9.72 48.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.686 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 33.6 t-80 48.12 25.68 0.87 Allowed 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.632 0.254 . . . . 0.0 111.489 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -109.58 -60.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.714 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.5 m -63.12 116.64 5.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.04 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -95.26 130.37 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.184 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.1 m-85 -63.92 161.66 15.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.774 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.77 165.71 11.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.432 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.2 t70 67.38 -63.47 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -169.54 -41.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.871 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 26.6 p -141.83 140.99 33.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -89.45 -135.1 5.53 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.092 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.567 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 50.0 m80 -96.45 130.01 43.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.739 0.304 . . . . 0.0 110.57 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.81 135.35 54.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.38 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.9 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 36.3 t -54.75 127.11 26.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.992 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 131' ' ' MET . 32.7 t -58.59 -18.3 28.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.383 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -111.38 -72.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 0.0 111.595 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.08 -24.71 59.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.641 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 69.11 7.01 5.98 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.539 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.0 m -66.45 146.13 54.89 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.724 0.297 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 81.0 mttt -86.72 110.73 20.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.3 p90 -128.63 163.43 25.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.182 0.515 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.1 p -86.76 171.56 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.075 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -94.5 -16.73 23.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.429 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 82.4 m -108.25 34.41 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.106 0.479 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.2 170.33 38.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.274 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -130.67 154.11 20.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -89.04 142.42 27.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.829 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.12 110.61 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.1 p -91.89 129.99 37.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.737 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 mt -93.6 177.27 6.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.472 ' N ' ' NE ' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -52.23 -71.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.39 -179.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.7 t -49.17 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.225 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -178.1 33.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.35 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 129' ' ' LYS . 12.8 mptt -86.52 111.66 20.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.975 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.2 t -94.98 114.15 30.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.366 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.404 ' HB3' ' HB2' ' A' ' 109' ' ' SER . 38.3 mtt -136.2 141.36 44.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 23.6 m95 -99.8 151.32 21.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.514 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 138' ' ' ARG . 43.1 t -127.36 120.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.473 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 26.2 p -61.88 155.2 23.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.422 . . . . 0.0 110.464 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 95.1 m-20 -53.48 -19.56 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.128 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.84 -33.67 27.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.409 ' CB ' HG11 ' A' ' 133' ' ' VAL . 55.5 m -89.3 -34.17 16.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.479 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.447 ' N ' ' CG1' ' A' ' 133' ' ' VAL . 45.9 ttp180 -61.97 -41.85 98.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.57 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -81.2 -56.89 3.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.398 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -50.69 -25.89 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 9.8 tt0 -111.22 18.36 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.873 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.892 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.9 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -107.05 100.64 10.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.017 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -155.28 83.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -176.99 -41.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.38 145.91 7.73 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.625 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -122.89 112.99 18.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.84 159.79 84.46 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 2.5 Cg_endo -83.67 134.67 6.54 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.126 2.55 . . . . 0.0 111.24 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.423 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 6.1 p -136.64 153.76 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.894 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 37.7 t -74.32 137.08 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.609 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.29 20.67 15.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.583 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.9 mp -127.06 -69.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.327 . . . . 0.0 110.5 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -89.0 -12.82 40.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.305 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 65.3 m80 50.96 32.84 7.93 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.441 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -117.2 -61.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.966 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.8 m -62.74 119.66 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -94.88 128.65 41.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.494 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 -61.09 -175.11 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.7 -160.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -47.65 -31.34 4.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.78 -118.95 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.348 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.2 p -97.04 151.16 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.773 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.487 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -91.96 -122.31 2.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.621 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.463 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 29.3 m80 -96.22 121.0 37.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.192 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -112.23 135.26 53.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 28.8 t -56.42 123.89 16.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.6 p -58.56 -18.35 28.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -107.71 -73.75 0.68 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.427 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 7.5 m -58.71 -25.54 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 67.1 mm-40 73.52 3.72 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.4 m -66.48 144.16 56.65 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.909 0.385 . . . . 0.0 111.153 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 31.2 mtmm -86.17 112.34 21.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.723 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.433 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 3.5 p90 -125.9 162.77 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.189 0.519 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.7 p -87.49 171.36 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.899 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.67 25.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.677 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.44 -17.38 22.54 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.8 29.46 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.0 0.429 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.83 167.06 36.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.398 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.52 171.13 22.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.778 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -88.15 132.78 34.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.43 ' CG2' HG23 ' A' ' 133' ' ' VAL . 57.8 t -134.88 110.97 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.3 t -92.88 138.97 31.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.98 48.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 69.27 -62.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.4 p -63.53 -158.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.235 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -92.46 22.71 4.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.623 0.249 . . . . 0.0 111.276 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -86.41 107.48 18.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.5 t -94.57 117.2 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.261 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 37.7 mtt -137.86 141.33 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.463 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 20.3 m95 -100.2 142.43 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.301 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.449 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 16.5 t -124.96 126.13 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.4 p -60.15 155.02 18.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.19 0.519 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.7 m-20 -54.32 -19.16 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.964 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.1 -33.25 29.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.449 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 23.3 m -89.54 -35.76 15.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.326 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -63.21 -36.08 82.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.976 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -90.25 -33.41 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -74.16 -25.97 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -85.23 -9.26 57.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.813 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.898 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.894 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -85.06 78.82 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -75.21 -36.38 61.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -107.32 150.78 26.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 123.78 136.47 4.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.255 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -80.82 112.69 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.958 0.409 . . . . 0.0 110.941 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.01 161.96 76.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.0 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.441 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo -83.57 135.6 7.05 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.071 2.514 . . . . 0.0 111.323 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.2 p -133.47 149.84 51.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.497 0.665 . . . . 0.0 112.73 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.895 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 52.9 t -72.45 136.64 46.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.456 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.02 11.99 51.79 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.804 -0.713 . . . . 0.0 113.413 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.3 mp -119.31 -69.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.831 0.348 . . . . 0.0 110.761 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.8 p -88.67 -10.12 49.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.633 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.1 m80 48.66 25.64 1.03 Allowed 'General case' 0 C--N 1.335 -0.041 0 CA-C-O 120.736 0.303 . . . . 0.0 111.397 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -112.92 -58.14 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 96.9 m -63.12 111.82 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.198 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -94.36 126.89 39.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.228 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.493 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 -59.6 168.49 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.56 -72.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.39 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.91 80.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.05 -84.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.619 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.8 t -145.26 106.34 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 111.075 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.493 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -65.78 -134.81 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.494 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.493 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 39.7 m80 -96.14 118.23 32.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.327 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -106.81 135.22 48.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.308 -179.012 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 37.6 t -56.32 125.21 20.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.921 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.1 t -58.75 -17.75 25.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 -75.17 0.64 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 111.366 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.3 m -59.61 -24.66 63.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 71.1 mm-40 73.09 4.91 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 84.9 m -66.41 142.38 57.61 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 110.89 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 33.1 mtmt -84.76 108.43 17.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -123.48 163.82 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.171 0.51 . . . . 0.0 111.397 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 31.7 p -86.52 169.52 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.714 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.795 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -94.45 -16.85 23.01 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 65.7 m -107.5 31.54 5.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.069 0.462 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -179.8 167.08 36.65 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.125 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.07 153.82 17.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.835 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 69.0 ttt180 -88.67 133.05 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.2 t -131.34 71.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.065 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.4 p -93.81 122.42 36.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 125' ' ' LEU . 2.6 mm? -93.52 168.04 11.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.635 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -92.68 40.66 1.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.6 m -144.27 28.33 1.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.702 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.6 m120 66.04 63.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -152.68 93.54 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.318 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.87 117.01 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.826 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mtm -137.83 142.98 40.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.085 0.469 . . . . 0.0 111.542 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.493 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 41.2 m95 -114.09 135.01 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 38.8 t -119.03 130.86 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.7 p -64.53 155.97 31.28 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.193 0.521 . . . . 0.0 111.324 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.9 m-20 -52.62 -21.37 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.08 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mt -82.9 -33.7 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 110.791 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.472 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 41.6 m -89.26 -36.1 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -62.72 -40.97 98.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.88 -48.64 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.75 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -75.62 -21.55 57.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 61.5 tt0 -78.55 -18.14 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.379 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.883 179.805 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.895 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -94.7 -15.29 24.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.431 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 73.19 -63.12 0.45 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.686 0.279 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.88 112.9 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.649 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.91 -29.73 0.82 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.311 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -105.23 117.15 33.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.714 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -69.91 168.54 17.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.4 Cg_exo -81.55 130.06 6.77 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.167 2.578 . . . . 0.0 111.178 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.7 p -137.54 147.23 44.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.506 0.67 . . . . 0.0 112.725 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.894 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 41.3 t -69.08 138.4 54.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.947 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.61 19.44 28.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.201 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -126.4 -68.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -90.27 -11.0 42.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.498 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 48.26 28.71 1.67 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.72 0.295 . . . . 0.0 111.492 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -113.63 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -63.02 114.62 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.0 mtmm -94.22 124.64 38.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.455 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.488 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.0 m-85 -59.63 173.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.903 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -137.41 170.31 16.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.36 20.82 10.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.21 -62.46 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.806 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.7 m -143.92 159.44 42.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 111.074 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -98.76 -127.09 5.77 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.079 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -100.0 116.75 32.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.903 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.25 131.79 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.7 t -55.16 125.88 22.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.1 p -63.31 -13.06 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.416 ' CE2' HG22 ' A' ' 133' ' ' VAL . 95.2 m-85 -104.17 -81.93 0.51 Allowed 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.7 p -74.89 -0.24 17.89 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 64.5 14.38 8.86 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.9 m -64.13 131.37 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.703 0.287 . . . . 0.0 110.699 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -83.11 109.64 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 7.2 p90 -127.26 163.93 22.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 111.785 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.3 p -86.36 171.76 10.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.711 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.47 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.404 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 14.6 ptp180 -95.58 -11.94 26.5 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.3 m -108.26 33.0 4.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.389 . . . . 0.0 111.304 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.458 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -166.09 -154.18 8.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.422 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -150.32 151.45 23.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.819 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -89.53 130.23 35.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.711 0.291 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 42.4 t -136.1 98.66 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.386 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.0 t -94.14 128.86 40.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.859 0.361 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.426 HD23 ' CE ' ' A' ' 131' ' ' MET . 80.4 mt -94.06 -178.56 4.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -84.96 -18.33 34.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.397 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.3 m -91.79 25.4 2.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.277 . . . . 0.0 111.321 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 60.98 16.24 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.434 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -87.9 117.38 26.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.758 0.313 . . . . 0.0 110.791 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.1 t -94.31 122.96 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.296 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.426 ' CE ' HD23 ' A' ' 125' ' ' LEU . 25.5 ptt? -137.38 150.3 47.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.608 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -124.07 145.72 49.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.34 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 87.5 t -125.26 126.58 71.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 27.3 p -60.51 154.05 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.288 0.566 . . . . 0.0 111.402 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.8 m-20 -54.21 -18.27 3.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.247 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.83 -37.57 29.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.423 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 98.5 m -89.12 -35.03 16.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.302 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -62.1 -35.24 78.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -71.15 -32.42 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -110.79 26.61 10.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.22 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.894 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 61.57 172.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -140.06 39.7 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.759 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -166.89 152.65 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.75 40.13 1.04 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.46 115.28 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 111.009 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.06 162.36 72.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo -83.81 128.58 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.354 2.703 . . . . 0.0 111.363 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.0 p -136.4 152.3 50.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 112.971 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.7 t -77.41 135.16 38.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.413 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.98 9.24 57.63 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.343 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 3.8 mp -115.3 -70.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.743 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -88.71 -14.95 36.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.665 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 57.8 t-80 53.67 22.12 2.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -107.41 -59.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.5 m -63.22 113.07 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 9.2 mtmp? -96.48 121.82 38.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.33 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.2 m-85 -57.69 -171.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.13 127.62 46.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.928 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 64.83 21.74 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.287 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' A' ' 90' ' ' PRO . . . 60.31 51.6 57.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.877 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.2 m -146.4 49.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.612 0.244 . . . . 0.0 111.473 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.513 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -61.45 -164.21 0.27 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.745 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 77.9 m-70 -97.31 117.57 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.68 130.29 52.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.021 0.438 . . . . 0.0 111.364 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.898 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.6 t -54.71 123.64 13.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.0 t -58.95 -17.46 24.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.182 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -106.86 -74.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.835 0.35 . . . . 0.0 111.383 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 5.7 m -60.34 -24.83 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.481 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 63.4 mm-40 74.3 2.77 4.21 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.1 m -66.91 141.61 57.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.22 118.34 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.2 p90 -131.48 163.52 27.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.415 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 26.7 p -86.68 171.84 10.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.16 -16.96 23.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.404 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -94.1 -19.66 20.61 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 57.9 m -104.7 23.9 12.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.367 . . . . 0.0 111.217 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -178.48 -178.28 47.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.601 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -145.74 164.28 28.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.562 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -89.73 140.31 29.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.433 ' CG2' HG23 ' A' ' 133' ' ' VAL . 58.4 t -135.74 108.92 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.8 t -92.49 134.4 35.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.426 ' HG ' ' CE ' ' A' ' 131' ' ' MET . 40.3 mt -93.01 -24.04 18.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.988 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 127' ' ' SER . 15.8 ptm180 -152.94 -51.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.302 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 38.7 t 176.66 -70.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -72.68 -22.11 60.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.337 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.93 91.25 8.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.693 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 23.4 t -99.51 120.64 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.913 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.426 ' CE ' ' HG ' ' A' ' 125' ' ' LEU . 2.8 mpp? -135.2 139.2 44.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.272 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 33.0 m95 -99.27 151.65 20.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.461 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 45.4 t -134.61 123.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.747 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.4 p -58.93 155.56 13.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.234 0.54 . . . . 0.0 111.431 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -56.08 -17.39 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.043 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.9 mt -82.99 -32.88 26.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -89.15 -41.39 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.386 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -63.05 -33.15 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.689 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -85.23 -56.29 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -52.49 -28.49 20.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -80.94 -6.58 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.579 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.898 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -177.47 -59.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 63.31 134.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -133.07 118.25 18.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.7 116.15 4.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.604 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -133.41 124.09 26.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.796 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.71 166.59 35.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.485 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.484 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 5.5 Cg_exo -79.44 158.83 25.8 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.353 2.702 . . . . 0.0 111.693 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 p -136.15 156.09 49.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.551 0.691 . . . . 0.0 112.754 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.891 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.7 t -79.21 123.2 27.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.375 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.37 0.98 45.43 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.505 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -101.32 -72.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.892 0.346 . . . . 0.0 110.646 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.6 p -90.66 -14.29 32.59 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 59.88 26.75 16.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.712 0.291 . . . . 0.0 111.309 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -113.76 -65.19 1.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.3 m -63.2 119.45 9.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -94.93 140.35 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.944 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.506 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.8 m-85 -70.92 172.16 9.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.33 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.631 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -171.54 47.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 176.55 -76.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.1 p -143.16 120.18 11.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.887 0.375 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.506 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -81.97 -133.22 1.65 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.541 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -95.43 126.85 41.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.719 0.295 . . . . 0.0 110.331 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -113.42 131.21 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 111.432 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.898 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.6 t -55.04 124.95 18.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.1 t -58.71 -18.53 32.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -107.45 -74.64 0.65 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 9.4 m -58.13 -25.67 61.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.619 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 70.8 mm-40 72.63 3.89 4.82 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.469 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.7 m -68.38 146.69 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 120.704 0.287 . . . . 0.0 111.088 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -86.06 111.73 20.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.524 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -125.01 163.15 22.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.081 0.467 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.9 p -87.07 168.47 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.998 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.26 -19.68 15.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.552 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -92.79 -13.48 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.5 m -107.38 25.73 11.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.8 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.76 -167.2 32.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.32 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -147.32 156.36 26.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.656 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.407 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 62.2 ttp180 -88.51 131.0 35.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.763 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 47.2 t -134.87 90.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.383 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -93.26 113.95 26.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.623 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.5 mm? -93.46 -175.51 3.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.057 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.6 ptt180 -52.14 171.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.297 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 40.4 t 60.74 -79.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.326 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 126' ' ' ARG . 1.2 m-20 174.67 38.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.792 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -85.7 94.39 9.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.5 t -95.11 112.03 26.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.6 ptp -140.03 140.14 36.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.136 0.494 . . . . 0.0 110.997 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.407 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 23.9 m95 -103.2 142.38 34.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.214 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 34.8 t -123.96 122.91 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.3 154.55 13.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.283 0.563 . . . . 0.0 111.33 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 4.6 m-20 -54.87 -19.25 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.868 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.68 -31.23 32.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.424 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 50.0 m -89.47 -35.33 16.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.75 -35.6 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -90.68 -30.73 16.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -75.45 -24.17 56.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.42 21.85 7.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.073 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.891 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.898 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.682 0.277 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -104.02 89.47 3.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.818 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -126.94 124.51 39.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.794 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -136.43 30.49 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.925 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.69 -135.89 4.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -134.22 120.68 20.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.84 160.06 83.34 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.421 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 4.3 Cg_endo -84.62 126.78 3.58 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.309 2.673 . . . . 0.0 111.3 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -135.39 145.09 46.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.893 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.7 t -66.85 130.66 43.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.789 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.77 1.16 59.43 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.455 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.1 mp -109.31 -73.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.739 0.27 . . . . 0.0 111.443 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.9 p -87.07 -12.55 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.762 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 36.8 t-80 51.23 27.71 3.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.725 0.298 . . . . 0.0 111.272 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -109.03 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.2 m -63.5 114.73 4.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.077 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 63.2 mttp -95.98 123.3 39.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.271 179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.493 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.4 m-85 -57.72 -175.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.69 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 90' ' ' PRO . . . -74.85 -172.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.199 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.94 -38.33 61.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.54 -103.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.9 m -143.15 143.79 31.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.493 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -80.67 -128.92 0.84 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.455 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 94.8 m-70 -99.92 125.56 45.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -113.94 129.17 56.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.904 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 36.8 t -54.08 126.15 21.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.236 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 t -63.98 -12.19 35.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.404 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.9 m-85 -103.6 -78.34 0.55 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.33 5.38 14.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.8 mp0 58.52 16.13 4.03 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.2 m -64.38 129.43 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 110.838 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -82.5 109.32 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.233 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 5.5 p90 -127.83 164.62 21.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.263 0.554 . . . . 0.0 111.737 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.27 166.54 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.496 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -17.4 15.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.953 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 118' ' ' ARG . 11.0 mtp-105 -95.15 -12.46 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.8 m -112.39 29.88 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -163.68 -170.16 28.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.99 150.02 19.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.802 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -88.41 124.0 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 110.798 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.4 t -137.08 94.62 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.288 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.8 m -93.43 147.96 22.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.62 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 125' ' ' LEU . 5.2 mp -92.62 43.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 51.61 35.36 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.4 t -162.35 -165.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -71.82 -9.57 58.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.44 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.24 99.34 10.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.1 t -96.51 137.23 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.516 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 43.8 mtt -134.23 144.36 48.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.683 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.455 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 46.3 m95 -123.88 141.32 52.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.0 t -130.27 126.03 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.61 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.484 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 32.0 p -58.2 151.13 19.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.531 . . . . 0.0 111.369 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -54.22 -17.71 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.476 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.28 -36.59 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 51.2 m -85.57 -38.04 18.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.09 -38.72 92.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.655 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -65.0 -55.12 20.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.82 -23.19 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -95.8 -4.81 43.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.658 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.893 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.904 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.31 75.74 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -101.87 98.44 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -154.19 99.69 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.736 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.99 -115.07 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.706 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.47 134.6 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 111.135 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -70.79 167.32 28.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.05 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.441 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo -84.2 130.76 4.81 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.245 2.63 . . . . 0.0 111.354 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -135.37 149.22 49.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.552 0.691 . . . . 0.0 112.641 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 50.0 t -70.67 135.9 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.471 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.89 9.02 55.03 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.398 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 115' ' ' PHE . 4.2 mp -117.83 -72.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.2 p -88.08 -6.78 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.885 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 28.5 p80 44.98 27.61 0.3 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -110.61 -56.81 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -63.11 113.53 3.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.026 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 23.6 mtpp -94.1 119.03 32.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.0 m-85 -57.6 179.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.91 -169.66 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.275 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -54.61 -39.85 68.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.79 -97.76 0.67 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.748 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.5 p -143.27 149.92 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -84.33 -135.01 2.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.909 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.551 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 88.4 m-70 -97.7 124.6 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 110.596 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -113.93 134.08 55.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 27.4 t -55.23 122.73 11.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.1 t -58.94 -17.54 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.139 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.25 -74.98 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.579 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 8.4 m -59.33 -24.89 63.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.59 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 18.7 mm-40 75.44 2.48 3.83 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.4 m -65.71 141.99 58.17 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.9 112.73 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.415 ' HB3' HD12 ' A' ' 94' ' ' ILE . 4.9 p90 -128.44 162.96 25.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.279 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 31.7 p -86.95 170.87 11.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.75 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.19 -15.34 23.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.702 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -93.52 -17.65 23.15 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 88.4 m -109.22 35.69 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.84 -153.52 10.86 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.213 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.66 152.63 23.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.042 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -86.26 144.43 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.662 0.268 . . . . 0.0 110.781 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.76 114.14 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.8 t -94.03 114.71 26.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.406 HD11 ' CE ' ' A' ' 131' ' ' MET . 60.5 mt -92.55 -71.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 128' ' ' ASN . 75.8 mtm180 -142.59 75.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.3 p 54.64 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.874 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 126' ' ' ARG . 3.3 p-10 -83.16 50.78 1.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -156.06 90.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.585 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 t -110.42 130.92 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.087 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.406 ' CE ' HD11 ' A' ' 125' ' ' LEU . 12.4 ptp -141.52 139.5 33.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.394 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.551 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 40.8 m95 -105.83 149.66 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.84 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 40.0 t -132.76 123.58 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.616 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 18.7 p -60.77 155.62 18.93 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.226 0.536 . . . . 0.0 111.797 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -55.38 -18.64 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.019 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.93 -32.35 34.66 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 110.145 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.441 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 56.0 m -88.9 -36.86 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.06 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.01 -30.11 71.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.636 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -88.63 -51.3 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.18 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -96.16 21.12 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.082 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -148.6 135.72 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -89.89 143.81 26.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.999 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -156.06 121.52 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.38 18.73 8.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.695 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -135.14 112.86 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -72.68 169.59 16.64 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.437 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 3.1 Cg_exo -82.0 125.24 4.66 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 123.118 2.545 . . . . 0.0 110.464 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 p -133.41 146.87 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.895 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 45.4 t -69.06 138.39 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.513 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.1 14.29 44.98 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.481 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.437 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.6 mp -121.8 -69.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.4 p -89.33 -8.36 53.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.649 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 16.4 p80 44.84 27.56 0.28 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.663 0.268 . . . . 0.0 111.662 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -113.09 -58.14 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.4 m -63.27 115.0 4.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.994 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 51.9 mttp -93.32 126.31 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.342 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.496 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 10.3 m-85 -54.75 169.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.811 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.11 -67.91 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.78 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 178.73 37.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 164.53 77.39 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 53.6 t 62.2 119.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.839 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.496 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -92.55 -121.7 2.97 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.633 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 30.3 m80 -95.76 124.58 39.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.782 0.325 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -113.43 134.12 54.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.9 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.7 t -56.76 123.51 15.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.754 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 132' ' ' TRP . 46.6 t -59.53 -16.97 28.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.955 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -105.18 -75.3 0.63 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.884 0.374 . . . . 0.0 111.458 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 4.8 m -61.81 -23.97 66.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.718 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 19.3 mm-40 74.12 3.81 4.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.345 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 88.9 m -66.44 146.49 54.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.871 0.367 . . . . 0.0 111.202 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -86.73 113.34 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.4 p90 -126.96 163.08 24.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.221 0.534 . . . . 0.0 111.462 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 31.4 p -87.37 171.59 10.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.681 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.71 -18.61 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -96.33 -14.49 22.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 57.9 m -109.16 33.57 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.13 -157.77 14.76 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.373 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -157.4 160.3 30.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.641 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -88.44 130.89 35.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.731 0.301 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.9 t -128.04 92.68 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.441 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.3 m -94.16 132.03 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.89 -46.62 7.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -139.15 -71.55 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.9 m -164.62 -44.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -100.69 34.58 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.287 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -151.59 90.79 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.951 0.405 . . . . 0.0 111.14 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.6 t -101.87 129.37 53.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.249 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 41.4 mtt -134.46 139.11 45.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.164 0.507 . . . . 0.0 110.858 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.558 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 56.8 m95 -107.57 139.64 41.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.158 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 92.4 t -130.2 127.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.421 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 25.0 p -58.15 153.8 14.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.294 0.568 . . . . 0.0 111.741 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -54.78 -18.95 5.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.985 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.65 -33.59 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.179 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.472 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 23.3 m -89.25 -36.22 15.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.207 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -62.43 -34.82 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.697 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -87.0 -48.63 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -54.04 -23.97 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -106.25 0.5 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.716 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.895 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.9 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.62 126.88 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -125.58 138.85 53.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -106.69 58.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.75 57.91 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.433 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -132.04 116.17 16.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.758 0.313 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.6 163.15 66.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.428 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 6.3 Cg_endo -85.13 132.29 4.48 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.143 2.562 . . . . 0.0 111.087 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 p -137.09 148.17 46.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.888 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 44.9 t -69.57 138.14 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.185 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 114' ' ' LYS . . . -86.55 15.27 52.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.558 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 94' ' ' ILE . 4.8 mp -124.3 -56.79 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.939 0.399 . . . . 0.0 110.74 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.67 -26.28 24.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 60.61 22.9 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.513 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -130.63 -46.35 1.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.702 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.9 m -63.14 111.55 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 17.8 mtpp -93.98 128.33 40.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.854 0.359 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.492 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 -62.04 79.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 99' ' ' LYS . . . 49.34 -89.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.689 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' PHE . 6.9 m-20 -159.18 32.35 0.2 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.698 0.285 . . . . 0.0 111.033 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.34 -85.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.798 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 69.7 m -141.7 141.81 33.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.956 0.408 . . . . 0.0 110.933 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.492 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -104.36 -132.35 7.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.592 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.8 127.15 42.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.704 0.288 . . . . 0.0 110.322 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -112.17 127.73 56.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.7 t -54.77 124.22 15.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.4 t -63.76 -12.23 33.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.639 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.413 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 97.0 m-85 -102.75 -79.23 0.53 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.9 p -79.98 5.03 15.09 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.9 mp0 59.88 14.72 4.41 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.3 m -65.73 133.38 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.467 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 93.6 mttt -84.13 114.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.111 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 11.5 p90 -131.17 163.5 27.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.116 0.484 . . . . 0.0 111.35 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.6 p -86.27 167.64 14.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.687 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.42 -17.45 8.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.122 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -93.66 -14.67 26.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.412 ' CB ' HD12 ' A' ' 94' ' ' ILE . 94.4 m -110.21 38.6 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 111.254 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.413 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 177.71 166.86 34.99 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.4 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -119.3 159.01 14.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -88.41 140.61 29.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.67 85.67 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.0 p -92.25 111.42 22.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.3 mt -95.08 34.14 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.774 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 60.15 155.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.794 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.1 m 63.97 -173.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.646 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -67.25 69.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -150.44 95.42 2.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.7 t -125.0 121.41 60.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.382 . . . . 0.0 111.387 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.6 ptp -141.36 142.11 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.776 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -108.92 149.71 28.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.564 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.2 125.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.7 p -60.91 155.56 19.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.604 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.78 -15.58 8.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.218 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.29 -35.51 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 110.671 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 92.0 m -89.36 -34.06 16.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -63.71 -38.5 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.022 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.01 -55.04 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -55.01 -22.64 16.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.285 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.94 -0.27 27.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.741 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.973 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.888 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -99.64 67.96 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 57.83 76.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -69.26 101.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 145.76 55.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.98 119.62 39.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.448 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -70.18 173.25 4.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.753 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.448 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 5.8 Cg_exo -81.18 129.69 6.91 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 123.134 2.556 . . . . 0.0 111.227 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.6 p -134.83 149.74 50.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 0.0 112.703 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 51.9 t -73.16 136.44 44.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.594 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.15 12.32 50.7 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.344 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.442 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.4 mp -119.56 -69.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -88.78 -11.05 46.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.763 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.3 m80 49.78 24.67 1.31 Allowed 'General case' 0 N--CA 1.46 0.062 0 CA-C-O 120.756 0.312 . . . . 0.0 111.465 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -112.24 -59.02 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.8 m -63.12 109.47 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.6 mtpt -93.14 122.91 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.497 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 -55.52 163.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.684 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.13 -177.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.852 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.98 85.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.59 -106.47 0.32 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.657 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.9 p -143.45 127.63 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.077 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -73.41 -133.57 0.22 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.649 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.407 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 80.5 m-70 -97.11 125.88 41.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -112.9 128.82 56.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.151 0.501 . . . . 0.0 111.018 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 35.6 t -55.31 124.99 18.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.6 t -64.19 -11.64 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.778 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.7 m-85 -105.64 -79.21 0.56 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.4 p -77.67 2.27 17.26 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.7 mp0 62.9 12.83 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.5 m -65.01 133.62 52.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 111.053 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -83.27 114.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.147 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CE2' ' N ' ' A' ' 134' ' ' CYS . 8.9 p90 -131.72 163.62 27.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.196 0.522 . . . . 0.0 111.771 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.3 p -86.84 168.18 13.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.472 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.31 -16.97 16.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.802 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -93.49 -16.98 23.93 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.9 m -108.04 37.6 2.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.039 0.447 . . . . 0.0 110.877 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.6 -156.83 16.34 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.292 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.26 155.89 26.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.601 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -87.26 127.46 35.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 110.654 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.9 t -131.78 100.19 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.1 t -92.72 139.66 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.49 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.424 HD11 ' CE ' ' A' ' 131' ' ' MET . 66.7 mt -92.93 17.59 10.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.377 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 48.79 25.86 1.13 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.716 0.293 . . . . 0.0 111.026 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.2 t -132.17 36.45 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.034 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.5 m120 60.09 47.06 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -153.18 125.25 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.9 t -108.77 135.64 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.677 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.424 ' CE ' HD11 ' A' ' 125' ' ' LEU . 18.1 ptp -141.66 139.0 32.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.555 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' SER . 45.0 m95 -109.83 140.25 43.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.347 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 64.3 t -129.67 128.91 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.822 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.501 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 31.6 p -58.87 153.18 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 0.0 111.14 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -57.15 -16.07 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.057 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.4 mt -82.0 -35.3 29.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.685 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.413 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 57.7 m -89.41 -36.82 15.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -62.99 -37.68 88.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -88.39 -50.6 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 28.8 tt0 -53.01 -28.83 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.01 16.27 25.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.385 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.676 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.832 0.348 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -96.43 150.42 20.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -154.58 -54.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.197 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -87.8 -42.37 12.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.146 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.02 -177.83 47.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.672 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -89.73 135.25 33.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.43 165.46 44.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo -83.95 141.83 9.67 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.22 2.613 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.6 p -139.42 152.42 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 38.3 t -74.28 134.55 42.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.401 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.34 8.57 60.88 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.622 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.1 mp -117.01 -56.03 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.9 m -84.91 -25.27 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 54.1 t-80 61.65 18.6 9.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.11 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -132.67 -43.71 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 0.0 110.788 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.6 m -62.6 108.44 1.14 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.8 mttp -94.27 132.98 38.29 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.493 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 5.2 m-85 -71.75 60.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.196 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.83 -158.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.59 0.233 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.83 49.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 0.0 110.903 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.6 -113.22 0.3 Allowed Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.72 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.0 p -143.49 139.59 29.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.493 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -93.04 -136.76 7.9 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.039 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 39.0 m80 -99.78 132.35 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 110.793 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.79 126.6 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.097 0.475 . . . . 0.0 110.703 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.3 t -54.44 125.98 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.736 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 132' ' ' TRP . 31.2 t -63.73 -12.99 39.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.672 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 141' ' ' GLN . 93.0 m-85 -104.57 -84.11 0.49 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.91 -4.57 25.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 72.6 mm-40 67.19 10.1 7.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 m -65.02 133.94 52.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.291 . . . . 0.0 110.926 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -83.18 117.97 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.481 ' CE2' ' N ' ' A' ' 134' ' ' CYS . 6.2 p90 -128.24 163.39 24.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.526 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 31.6 p -86.97 171.98 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.71 -19.47 16.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.602 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -94.69 -16.13 23.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 65.1 m -107.93 29.03 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.84 163.22 30.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.787 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -126.08 165.32 19.31 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.378 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.428 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 68.8 ttp85 -88.91 133.21 34.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.0 t -129.72 92.63 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 87.4 p -91.5 113.71 26.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.793 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.429 HD12 ' CE ' ' A' ' 131' ' ' MET . 90.5 mt -93.33 124.33 37.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.422 ' O ' ' ND2' ' A' ' 128' ' ' ASN . 25.1 tpt180 69.66 14.59 8.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.492 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m 65.3 15.93 10.27 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 126' ' ' ARG . 48.0 m-80 -133.44 -43.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.97 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 129' ' ' LYS . 12.2 mptt -86.3 96.67 10.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.26 122.12 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.421 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.429 ' CE ' HD12 ' A' ' 125' ' ' LEU . 25.6 ptt? -141.05 142.05 34.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.851 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 35.5 m95 -102.84 137.79 40.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.318 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.5 t -131.78 134.0 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.717 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.481 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 29.1 p -59.85 151.92 24.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.145 0.498 . . . . 0.0 111.017 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -54.93 -18.55 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.131 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -81.48 -37.62 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 58.4 m -88.51 -34.77 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.071 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -63.37 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -84.49 -40.45 17.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -66.24 -34.75 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.911 179.445 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.491 ' HG2' ' CZ ' ' A' ' 110' ' ' TYR . 2.1 mp0 -95.33 11.06 33.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.44 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.933 179.847 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 39.8 tt0 -150.73 123.29 8.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 17.2 pt20 45.86 -168.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.37 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -92.97 169.31 10.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.39 -168.25 0.21 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.639 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -110.17 145.8 36.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.59 163.59 62.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 3.4 Cg_endo -84.56 136.36 6.34 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.205 2.603 . . . . 0.0 111.232 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.0 p -139.32 146.39 40.25 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.4 t -64.54 133.69 52.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.67 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.09 3.62 61.04 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.93 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.2 mp -114.92 -55.88 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.02 -23.98 28.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 57.05 22.03 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -129.77 -48.44 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.401 . . . . 0.0 110.751 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.8 m -62.8 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.353 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.1 mtmm -94.22 130.01 40.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.949 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.488 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 13.1 m-85 -63.86 163.72 11.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.853 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 103' ' ' GLY . . . -97.95 162.66 13.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.44 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 t70 64.69 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.416 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 101' ' ' ALA . . . -163.62 -41.92 0.02 OUTLIER Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.011 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.1 p -138.65 126.13 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -80.33 -126.33 0.64 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.578 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 66.3 m80 -98.83 124.9 44.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.937 0.398 . . . . 0.0 110.483 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -113.3 129.38 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.83 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.904 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 25.4 t -54.77 124.0 15.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.53 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.439 ' CB ' ' HE3' ' A' ' 131' ' ' MET . 96.2 p -63.33 -13.44 39.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.496 ' CE1' ' NE2' ' A' ' 141' ' ' GLN . 97.3 m-85 -103.1 -82.2 0.49 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.9 p -77.58 3.63 13.25 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 27.1 mp0 62.5 12.48 5.44 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.7 m -64.31 127.57 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 0.0 110.765 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -81.5 112.09 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.494 . . . . 0.0 110.24 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 9.2 p90 -124.84 163.67 21.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.618 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.2 p -86.7 170.94 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.368 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.41 -19.11 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.841 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.43 -15.99 22.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 71.6 m -107.98 34.08 3.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.952 0.406 . . . . 0.0 111.489 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.454 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -177.14 177.95 48.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.23 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.92 155.23 23.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.87 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.491 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 56.8 ttp180 -89.18 130.78 35.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 48.0 t -130.55 125.9 59.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.24 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.0 m -97.8 148.13 23.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -142.55 42.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 49.71 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.8 t 56.61 24.83 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.02 25.71 14.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -86.55 93.05 9.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.8 t -98.56 119.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.197 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.439 ' HE3' ' CB ' ' A' ' 109' ' ' SER . 44.7 mtp -140.39 153.99 46.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.999 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.563 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 18.8 m95 -115.21 143.74 44.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 85.5 t -125.38 129.14 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.68 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.488 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.4 p -63.2 153.98 32.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.268 0.556 . . . . 0.0 111.287 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.9 m-20 -54.38 -18.49 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.357 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.74 -38.39 28.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.039 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.439 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 90.0 m -85.81 -33.9 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.988 0.423 . . . . 0.0 110.172 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.07 -32.14 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.882 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -90.75 -46.31 8.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -67.85 -32.76 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.496 ' NE2' ' CE1' ' A' ' 110' ' ' TYR . 19.8 pt20 -147.32 57.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.904 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.857 0.36 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.73 -60.78 2.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 61.74 123.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 55.75 69.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.88 80.91 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -58.24 125.78 24.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.994 0.426 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.444 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -70.49 173.37 4.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.836 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.444 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 2.0 Cg_endo -83.34 128.81 4.94 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.147 2.565 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -138.39 147.63 43.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.492 0.663 . . . . 0.0 112.784 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.895 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 43.5 t -68.65 135.49 51.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.632 178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.84 19.65 24.11 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.587 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.6 mp -123.56 -67.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.5 p -88.71 -19.36 26.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.419 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 13.5 t-160 56.13 37.84 29.25 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.053 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -126.28 -54.52 1.47 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.321 . . . . 0.0 111.118 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.2 m -63.61 118.76 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -97.08 123.88 40.95 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.491 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 12.3 m-85 -58.5 177.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.55 -82.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.759 0.314 . . . . 0.0 111.521 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -159.83 27.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.87 -79.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.571 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 26.8 p -144.02 116.33 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.491 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -77.26 -121.27 0.2 Allowed Glycine 0 C--N 1.329 0.146 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.571 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 41.2 m80 -96.28 120.84 37.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.497 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -113.57 133.68 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.9 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.4 t -55.02 125.64 21.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.563 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.1 t -58.74 -17.5 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -108.05 -72.44 0.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.88 0.371 . . . . 0.0 111.365 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 8.2 m -60.54 -24.43 65.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.518 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 82.3 mm-40 68.99 7.69 6.39 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.27 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.7 m -67.13 143.96 56.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -85.0 110.29 18.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.734 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -126.97 163.48 23.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.241 0.544 . . . . 0.0 111.673 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.8 p -87.16 171.79 10.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.604 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.48 -13.12 26.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.972 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -95.53 -14.83 23.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.65 29.7 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 111.31 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.5 -177.27 41.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.326 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -139.55 153.57 23.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -87.9 128.34 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.52 124.11 61.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.9 t -91.05 132.7 35.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.0 mt -93.64 -57.72 2.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -119.66 -65.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.7 m -159.96 -58.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.44 -13.02 18.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.63 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 129' ' ' LYS . 2.1 mptp? -83.21 92.03 7.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.003 0.43 . . . . 0.0 110.794 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.7 t -96.71 133.55 37.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.738 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 44.9 mtp -135.19 138.31 43.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.026 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.534 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 29.3 m95 -101.51 136.95 40.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.957 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.6 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.655 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.6 p -58.13 152.5 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -54.01 -20.34 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.889 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.1 mt -80.2 -32.96 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.031 0.443 . . . . 0.0 110.068 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.48 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 19.2 m -89.65 -28.42 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.138 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.66 -41.04 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -91.25 -44.55 9.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 53.6 tt0 -61.54 -33.39 73.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -117.35 16.67 14.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.465 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.213 179.853 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.895 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.9 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.707 0.289 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -67.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.966 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 63.94 110.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.754 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -100.06 -68.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.048 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.55 -144.25 3.9 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.608 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -132.62 124.35 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -69.49 171.25 7.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.439 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 1.2 Cg_endo -83.18 137.82 8.57 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 123.158 2.572 . . . . 0.0 111.387 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -137.54 148.58 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 47.6 t -71.51 138.0 48.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.618 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.92 59.99 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.494 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 94' ' ' ILE . 4.3 mp -121.38 -55.83 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.835 0.35 . . . . 0.0 110.755 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.74 -24.32 25.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 57.13 22.24 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -131.59 -49.22 0.97 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.4 m -62.83 108.05 1.11 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.259 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 33.6 mtmm -93.21 130.41 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.04 0.448 . . . . 0.0 110.586 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.496 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.2 m-85 -64.65 172.19 2.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.306 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.81 172.75 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.811 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 60.34 19.3 8.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.218 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.96 -57.08 0.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.691 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.9 t -143.67 154.43 43.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 111.189 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.496 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -95.76 -131.4 6.63 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.077 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.557 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 44.6 m80 -98.93 130.9 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.633 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.42 129.46 55.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.129 0.49 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 38.1 t -55.14 125.94 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.271 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' TRP . 23.8 t -62.94 -13.49 35.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.626 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.84 -84.0 0.48 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -71.69 -3.24 20.69 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 66.03 12.83 8.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 31.7 m -64.64 133.72 52.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.0 mttp -83.16 115.01 21.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.482 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 5.5 p90 -128.83 163.22 25.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.1 p -87.41 172.04 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.926 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.45 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.402 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 16.5 ptm180 -95.27 -11.76 27.37 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 55.2 m -104.71 31.83 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.267 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.482 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -169.66 -167.22 29.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.536 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -150.61 142.0 9.21 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.687 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.475 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 10.4 ptp85 -88.32 135.73 33.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.801 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 43.9 t -136.34 124.68 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.941 0.4 . . . . 0.0 111.484 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.6 m -107.34 114.71 28.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.715 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 125' ' ' LEU . 5.1 mp -94.33 -86.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.023 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -159.71 167.89 27.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.6 m 55.69 30.64 15.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.618 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.24 33.16 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -85.54 89.1 7.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.972 0.415 . . . . 0.0 110.965 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.6 t -99.27 119.47 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.07 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -135.54 143.34 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.252 0.549 . . . . 0.0 110.849 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.557 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 37.9 m95 -106.08 137.46 43.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.305 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.86 131.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.67 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.4 p -59.01 150.08 25.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.024 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -54.22 -17.36 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.42 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 mt -82.31 -40.15 21.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.71 -37.92 22.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 0.0 110.298 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -64.24 -34.58 78.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.28 -55.27 3.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -50.8 -31.67 17.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.257 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -124.64 34.86 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.075 0.464 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.021 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -142.8 105.59 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -169.2 67.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -113.91 -27.86 7.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.7 32.01 0.75 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.451 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -122.62 133.98 54.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.949 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.56 164.51 54.05 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.445 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.6 Cg_endo -83.52 127.73 4.49 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.225 2.616 . . . . 0.0 111.504 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 p -133.13 147.76 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.369 0.604 . . . . 0.0 112.468 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 43.6 t -70.61 130.26 41.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.463 179.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.74 -0.36 59.06 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.341 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 94' ' ' ILE . 1.9 mp -108.31 -72.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.73 0.265 . . . . 0.0 111.439 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -87.5 -10.44 51.74 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.5 m80 49.87 24.98 1.43 Allowed 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.675 0.274 . . . . 0.0 111.496 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -108.07 -63.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.8 m -63.31 117.15 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.034 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -94.8 123.38 38.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.252 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.496 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.4 m-85 -55.89 173.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.35 165.67 15.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.285 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 67.97 -63.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.998 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.72 -42.78 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.756 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.3 p -143.67 132.54 22.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.761 0.315 . . . . 0.0 110.796 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.496 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -79.84 -132.59 0.99 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.848 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.422 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 77.0 m-70 -95.73 120.85 36.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.947 0.403 . . . . 0.0 110.43 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -110.47 132.28 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.973 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 20.9 t -55.68 122.37 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.251 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 34.3 t -58.02 -18.88 27.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -104.62 -74.81 0.64 Allowed 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.381 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 5.8 m -59.9 -25.26 64.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.686 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 73.9 mm-40 73.34 4.05 4.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 57.7 m -67.72 145.52 54.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.855 0.36 . . . . 0.0 111.143 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 45.3 mtmt -86.14 114.64 23.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.487 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.9 p90 -128.96 163.0 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.196 0.522 . . . . 0.0 111.274 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.2 p -88.1 171.67 10.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.571 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.43 26.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.529 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 118' ' ' ARG . 13.6 mmp_? -92.58 -20.84 20.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.327 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 68.7 m -105.24 25.08 11.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.96 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.487 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -171.04 176.89 44.26 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.492 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -134.71 157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 4.3 ptm85 -87.25 136.04 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 110.732 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.7 t -134.6 84.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.23 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -93.21 117.32 29.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.59 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 125' ' ' LEU . 2.6 mm? -93.25 164.97 13.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -77.55 0.86 21.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.729 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.9 p -96.68 23.92 6.51 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.756 0.312 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 55.21 58.61 4.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -150.21 106.31 3.46 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.53 120.25 43.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 22.0 ptt? -142.48 139.95 31.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.164 0.507 . . . . 0.0 111.127 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.468 ' CZ2' ' HB3' ' A' ' 122' ' ' ARG . 18.7 m95 -101.47 142.7 32.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.545 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.479 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.8 t -128.18 128.26 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.354 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.2 p -57.87 152.7 15.45 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.152 0.501 . . . . 0.0 111.72 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -55.53 -18.95 8.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.746 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.95 -31.54 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.045 0.45 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.479 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 15.6 m -89.59 -31.01 17.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 178.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.18 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -88.85 -45.3 9.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.548 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -79.06 -37.15 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 137' ' ' CYS . 15.1 mm100 -112.24 25.45 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.491 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.165 -0.922 . . . . 0.0 111.066 179.676 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.454 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo . . . . . 0 N--CA 1.458 -0.585 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -134.9 149.66 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.511 0.672 . . . . 0.0 112.711 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 52.6 t -73.13 136.04 44.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.355 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.62 13.31 48.06 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.311 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.45 HD12 ' N ' ' A' ' 94' ' ' ILE . 4.5 mp -119.41 -69.26 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.1 p -88.95 -14.11 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.5 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 33.4 t-80 52.97 23.49 2.91 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -111.18 -58.16 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.909 0.385 . . . . 0.0 110.622 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 116' ' ' CYS . 68.8 m -63.22 112.19 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.5 mtmt -94.17 124.32 38.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.216 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 120.872 0.151 . . . . 0.0 112.797 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.42 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 66.5 m-70 -96.68 121.38 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.709 0.29 . . . . 0.0 110.638 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -110.03 129.9 55.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 29.9 t -54.7 122.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.5 t -59.41 -17.31 29.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.94 -77.69 0.58 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.356 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.8 m -58.46 -24.73 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.688 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 63.2 mm-40 74.97 2.83 4.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.8 m -67.68 145.19 55.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 111.302 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.3 mttp -86.6 116.39 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.455 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.8 p90 -130.53 163.26 27.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 111.309 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.429 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.8 p -86.88 171.79 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.735 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.12 -15.87 27.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.977 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -94.42 -17.94 22.02 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 93.2 m -106.84 29.21 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -173.22 -172.07 38.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.593 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.92 158.01 27.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.437 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.904 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 54.2 mtt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.42 ' CE2' ' ND1' ' A' ' 106' ' ' HIS . 39.9 m95 -114.57 131.48 56.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 65.5 t -118.68 125.22 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.755 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.2 p -58.42 155.02 12.63 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.165 0.507 . . . . 0.0 111.577 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -55.9 -18.56 9.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.814 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.99 -31.17 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 22.4 m -89.65 -45.08 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.439 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.02 -29.2 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -88.77 -51.75 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.0 -33.17 75.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.42 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -89.31 9.71 25.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.506 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.908 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.8 Cg_endo . . . . . 0 N--CA 1.456 -0.703 0 N-CA-C 111.702 -0.153 . . . . 0.0 111.702 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 p -137.24 147.13 45.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.05 136.66 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.679 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.57 16.6 34.66 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.3 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.6 mp -124.45 -70.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 110.587 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.7 p -90.13 -8.2 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.842 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 26.6 p-80 45.39 29.55 0.59 Allowed 'General case' 0 C--O 1.231 0.097 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -111.17 -61.12 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.746 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.475 HG21 ' HB2' ' A' ' 116' ' ' CYS . 86.4 m -63.37 116.69 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.26 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -95.12 124.75 39.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.491 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.522 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.158 0 CA-C-O 120.713 0.063 . . . . 0.0 113.25 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 132' ' ' TRP . 40.2 m-70 -98.22 117.75 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -109.55 137.66 47.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.891 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.4 t -55.33 126.26 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.2 t -58.39 -18.26 26.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.274 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 81.7 m-85 -111.11 -73.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.275 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 11.9 m -56.17 -24.42 41.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.36 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 15.3 mm100 69.42 5.66 5.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.705 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.9 m -67.26 143.44 56.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 94.2 mttt -85.27 113.75 21.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.969 0.414 . . . . 0.0 110.702 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.477 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.7 p90 -130.62 163.43 27.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.564 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.475 ' HB2' HG21 ' A' ' 98' ' ' THR . 30.9 p -87.35 172.07 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.987 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.9 34.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -92.12 -18.18 23.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.503 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 94.6 m -110.12 35.55 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 174.83 163.19 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.611 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -118.48 148.32 18.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.439 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 57.2 ttp180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.2 ptm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.452 ' CG ' ' HB3' ' A' ' 106' ' ' HIS . 41.0 m95 -118.2 133.52 55.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.489 HG13 ' HB2' ' A' ' 137' ' ' CYS . 53.0 t -114.07 121.6 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.0 p -63.07 156.91 23.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.087 0.47 . . . . 0.0 110.921 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -54.36 -19.32 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.17 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.24 -36.53 27.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 110.697 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.489 ' HB2' HG13 ' A' ' 133' ' ' VAL . 86.2 m -89.1 -34.63 16.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.32 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' HG12 ' A' ' 133' ' ' VAL . 60.2 ttp180 -62.95 -39.27 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.015 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -77.91 -45.12 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.76 -28.0 68.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.98 -9.96 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.407 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.813 179.794 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.3 Cg_endo . . . . . 0 N--CA 1.458 -0.607 0 N-CA-C 111.594 -0.194 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 p -135.88 148.02 48.44 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 53.6 t -68.79 137.23 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.89 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.63 12.74 50.93 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.332 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 94' ' ' ILE . 4.4 mp -120.72 -70.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.615 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.7 p -89.41 -9.25 50.94 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.611 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 47.0 p-80 45.24 33.2 1.12 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.596 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -117.33 -58.18 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.786 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.524 HG21 ' HB2' ' A' ' 116' ' ' CYS . 83.0 m -63.17 121.18 13.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 19.1 mtpp -92.47 123.03 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.053 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.503 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 12.9 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.164 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.503 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.165 0 N-CA-C 112.222 -0.351 . . . . 0.0 112.222 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -99.09 117.46 33.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.274 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -107.98 134.47 50.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.4 t -55.8 121.95 10.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.4 t -58.77 -17.87 26.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -104.46 -76.54 0.6 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.75 0.309 . . . . 0.0 111.449 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -59.12 -24.51 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 75.62 1.77 3.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.145 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.6 m -66.12 144.27 56.78 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.872 0.368 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 45.7 mtmt -86.42 114.05 22.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -128.74 163.67 24.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.524 ' HB2' HG21 ' A' ' 98' ' ' THR . 32.0 p -86.7 171.38 11.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.652 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.74 -14.78 35.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.741 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -94.59 -17.99 21.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 66.0 m -106.91 34.73 3.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.059 0.457 . . . . 0.0 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.17 179.27 47.35 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -131.92 161.73 23.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.692 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.43 ' HG2' ' CZ2' ' A' ' 132' ' ' TRP . 98.7 mtt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 110.778 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtt . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.967 0.413 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 44.2 m95 -108.48 144.34 36.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.397 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.0 t -130.25 124.02 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.58 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.2 p -58.0 154.37 12.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.324 0.583 . . . . 0.0 111.776 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -56.13 -17.24 6.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.119 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.66 -34.23 30.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.197 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -86.65 -30.21 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.109 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.204 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -86.74 -48.37 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.27 -24.12 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -109.72 13.84 23.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.498 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.949 179.701 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.9 Cg_endo . . . . . 0 N--CA 1.457 -0.654 0 N-CA-C 111.327 -0.297 . . . . 0.0 111.327 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 7.0 p -137.57 148.34 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.49 135.89 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.776 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.35 10.63 58.35 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.284 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.1 mp -117.52 -67.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.716 0.293 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -90.81 -12.54 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.862 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 m80 50.51 24.37 1.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.726 0.298 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -110.19 -61.96 1.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.0 m -63.1 114.62 3.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.935 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.4 mtpt -92.6 123.24 35.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 5.4 m-85 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.567 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.23 0 CA-C-O 121.001 0.223 . . . . 0.0 112.988 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 60.4 m-70 -99.68 115.43 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 110.114 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -103.86 136.5 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.169 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.7 t -54.2 125.78 20.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t -59.1 -17.42 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.423 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -111.34 -72.15 0.73 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.655 0.264 . . . . 0.0 111.386 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 14.6 m -57.23 -25.29 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 79.4 mm-40 71.03 4.64 5.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.648 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.9 m -67.07 141.97 57.3 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.636 0.255 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -84.49 115.46 22.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -132.0 163.7 27.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.182 0.515 . . . . 0.0 111.707 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.7 170.43 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.73 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.16 -15.64 25.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.612 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -92.4 -18.71 22.91 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.415 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 71.3 m -107.1 29.62 6.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.023 0.44 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 176.79 171.83 40.81 Favored Glycine 0 CA--C 1.517 0.177 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.266 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.84 153.46 17.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.822 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.504 ' HB3' ' CH2' ' A' ' 132' ' ' TRP . 37.9 ptt180 . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.709 0.29 . . . . 0.0 110.732 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 20.3 ptp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.573 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 24.6 m95 -123.99 151.7 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 111.357 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.465 HG13 ' HB2' ' A' ' 137' ' ' CYS . 46.9 t -124.42 120.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.449 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 17.8 p -67.21 157.37 33.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 0.0 110.803 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -54.16 -19.13 4.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.239 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.25 -37.28 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.465 ' HB2' HG13 ' A' ' 133' ' ' VAL . 94.9 m -86.57 -32.88 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.313 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.451 ' HB2' HG12 ' A' ' 133' ' ' VAL . 56.9 ttp180 -62.53 -40.6 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.55 -43.12 13.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.08 -25.08 66.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 141' ' ' GLN . 34.4 tt0 -112.19 11.5 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.232 179.891 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.508 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo . . . . . 0 N--CA 1.46 -0.486 0 N-CA-C 111.667 -0.167 . . . . 0.0 111.667 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.6 p -138.37 153.29 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.528 0.68 . . . . 0.0 112.789 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.5 t -74.78 138.07 42.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.623 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.15 16.79 36.33 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.364 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -123.84 -70.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.963 0.411 . . . . 0.0 110.576 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.7 p -89.82 -9.72 48.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.686 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 33.6 t-80 48.12 25.68 0.87 Allowed 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.632 0.254 . . . . 0.0 111.489 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -109.58 -60.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.714 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.501 HG21 ' HB2' ' A' ' 116' ' ' CYS . 82.5 m -63.12 116.64 5.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -95.26 130.37 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.184 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 114' ' ' LYS . 4.1 m-85 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.774 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.512 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.227 0 CA-C-O 120.793 0.107 . . . . 0.0 113.092 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -96.45 130.01 43.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.739 0.304 . . . . 0.0 110.57 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -117.81 135.35 54.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.38 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 36.3 t -54.75 127.11 26.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.992 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 131' ' ' MET . 32.7 t -58.59 -18.3 28.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.383 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -111.38 -72.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 0.0 111.595 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.08 -24.71 59.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.641 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 69.11 7.01 5.98 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.539 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.0 m -66.45 146.13 54.89 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.724 0.297 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 81.0 mttt -86.72 110.73 20.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.452 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.3 p90 -128.63 163.43 25.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.182 0.515 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.501 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.1 p -86.76 171.56 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.075 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -94.5 -16.73 23.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 82.4 m -108.25 34.41 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.106 0.479 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.2 170.33 38.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.274 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -130.67 154.11 20.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.829 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.421 ' HB3' ' HB2' ' A' ' 109' ' ' SER . 38.3 mtt . . . . . 0 CA--C 1.522 -0.113 0 CA-C-O 121.059 0.457 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -99.8 151.32 21.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.514 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 137' ' ' CYS . 43.1 t -127.36 120.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.473 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.2 p -61.88 155.2 23.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.422 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 95.1 m-20 -53.48 -19.56 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.128 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.84 -33.67 27.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.462 ' HB2' HG13 ' A' ' 133' ' ' VAL . 55.5 m -89.3 -34.17 16.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.479 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.447 ' N ' ' CG1' ' A' ' 133' ' ' VAL . 45.9 ttp180 -61.97 -41.85 98.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.57 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 139' ' ' LYS . 1.3 tmtp? -81.2 -56.89 3.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -50.69 -25.89 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 141' ' ' GLN . 9.8 tt0 -111.22 18.36 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.873 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.461 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 2.5 Cg_endo . . . . . 0 N--CA 1.457 -0.624 0 N-CA-C 111.24 -0.331 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.423 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 6.1 p -136.64 153.76 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.32 137.08 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.609 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.29 20.67 15.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.583 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 115' ' ' PHE . 4.9 mp -127.06 -69.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.327 . . . . 0.0 110.5 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -89.0 -12.82 40.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.305 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 65.3 m80 50.96 32.84 7.93 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.441 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -117.2 -61.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.966 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 116' ' ' CYS . 99.8 m -62.74 119.66 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.275 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -94.88 128.65 41.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.494 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.492 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.492 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.621 -0.191 . . . . 0.0 112.621 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -96.22 121.0 37.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.192 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -112.23 135.26 53.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 28.8 t -56.42 123.89 16.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' A' ' 131' ' ' MET . 69.6 p -58.56 -18.35 28.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -107.71 -73.75 0.68 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.427 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -58.71 -25.54 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 73.52 3.72 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.4 m -66.48 144.16 56.65 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.909 0.385 . . . . 0.0 111.153 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 31.2 mtmm -86.17 112.34 21.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.723 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.459 ' HB3' HD11 ' A' ' 94' ' ' ILE . 3.5 p90 -125.9 162.77 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.189 0.519 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.502 ' HB2' HG21 ' A' ' 98' ' ' THR . 30.7 p -87.49 171.36 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.899 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.67 25.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.677 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.44 -17.38 22.54 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.8 29.46 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.0 0.429 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.437 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.83 167.06 36.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.398 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.52 171.13 22.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.778 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.833 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.452 ' HB3' ' HB3' ' A' ' 109' ' ' SER . 37.7 mtt . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.083 0.468 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -100.2 142.43 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.301 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.531 HG12 ' HB2' ' A' ' 137' ' ' CYS . 16.5 t -124.96 126.13 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.4 p -60.15 155.02 18.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.19 0.519 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.7 m-20 -54.32 -19.16 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.964 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.1 -33.25 29.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.531 ' HB2' HG12 ' A' ' 133' ' ' VAL . 23.3 m -89.54 -35.76 15.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.326 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -63.21 -36.08 82.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.976 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 135' ' ' ASN . 56.1 mtmt -90.25 -33.41 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -74.16 -25.97 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -85.23 -9.26 57.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.813 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.898 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.466 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo . . . . . 0 N--CA 1.458 -0.609 0 N-CA-C 111.323 -0.299 . . . . 0.0 111.323 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.2 p -133.47 149.84 51.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.497 0.665 . . . . 0.0 112.73 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 52.9 t -72.45 136.64 46.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.456 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.02 11.99 51.79 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.804 -0.713 . . . . 0.0 113.413 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.3 mp -119.31 -69.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.831 0.348 . . . . 0.0 110.761 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.8 p -88.67 -10.12 49.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.633 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.1 m80 48.66 25.64 1.03 Allowed 'General case' 0 C--N 1.335 -0.041 0 CA-C-O 120.736 0.303 . . . . 0.0 111.397 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -112.92 -58.14 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 116' ' ' CYS . 96.9 m -63.12 111.82 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.198 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -94.36 126.89 39.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.228 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.179 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -96.14 118.23 32.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.327 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.54 HD22 ' HG2' ' A' ' 114' ' ' LYS . 4.0 m-20 -106.81 135.22 48.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.308 -179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 37.6 t -56.32 125.21 20.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.1 t -58.75 -17.75 25.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 -75.17 0.64 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 111.366 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.3 m -59.61 -24.66 63.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 71.1 mm-40 73.09 4.91 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 84.9 m -66.41 142.38 57.61 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 110.89 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.54 ' HG2' HD22 ' A' ' 107' ' ' ASN . 33.1 mtmt -84.76 108.43 17.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -123.48 163.82 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.171 0.51 . . . . 0.0 111.397 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.7 p -86.52 169.52 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.714 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.795 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -94.45 -16.85 23.01 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 65.7 m -107.5 31.54 5.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.069 0.462 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -179.8 167.08 36.65 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.125 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 138' ' ' ARG . . . -115.07 153.82 17.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.835 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 69.0 ttt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mtm . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 121.085 0.469 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.474 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 41.2 m95 -114.09 135.01 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 38.8 t -119.03 130.86 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.7 p -64.53 155.97 31.28 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.193 0.521 . . . . 0.0 111.324 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.9 m-20 -52.62 -21.37 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.08 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mt -82.9 -33.7 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 110.791 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.472 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 41.6 m -89.26 -36.1 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.41 ' HD3' ' HA3' ' A' ' 121' ' ' GLY . 56.1 ttp180 -62.72 -40.97 98.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.88 -48.64 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.75 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -75.62 -21.55 57.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 137' ' ' CYS . 61.5 tt0 -78.55 -18.14 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.379 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.411 ' OXT' ' HG3' ' A' ' 142' ' ' GLU . 11.9 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.883 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.465 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.4 Cg_exo . . . . . 0 N--CA 1.458 -0.567 0 N-CA-C 111.178 -0.354 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.7 p -137.54 147.23 44.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.506 0.67 . . . . 0.0 112.725 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.3 t -69.08 138.4 54.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.947 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.61 19.44 28.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.201 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -126.4 -68.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -90.27 -11.0 42.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.498 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 48.26 28.71 1.67 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.72 0.295 . . . . 0.0 111.492 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -113.63 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -63.02 114.62 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.0 mtmm -94.22 124.64 38.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.455 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.0 m-85 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.903 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.148 0 CA-C-O 120.756 0.087 . . . . 0.0 113.079 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -100.0 116.75 32.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.903 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.547 ' ND2' ' HG2' ' A' ' 114' ' ' LYS . 4.7 m-20 -104.25 131.79 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 33.7 t -55.16 125.88 22.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.489 ' OG ' HG22 ' A' ' 133' ' ' VAL . 81.1 p -63.31 -13.06 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.17 -81.93 0.51 Allowed 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.7 p -74.89 -0.24 17.89 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 13.2 mm100 64.5 14.38 8.86 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.9 m -64.13 131.37 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.703 0.287 . . . . 0.0 110.699 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.547 ' HG2' ' ND2' ' A' ' 107' ' ' ASN . 43.3 mtmt -83.11 109.64 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.512 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 7.2 p90 -127.26 163.93 22.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 111.785 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.3 p -86.36 171.76 10.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.711 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.47 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.404 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 14.6 ptp180 -95.58 -11.94 26.5 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.3 m -108.26 33.0 4.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.389 . . . . 0.0 111.304 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -166.09 -154.18 8.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.422 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 138' ' ' ARG . . . -150.32 151.45 23.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.819 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.711 0.291 . . . . 0.0 110.906 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.428 ' HB2' ' HB3' ' A' ' 109' ' ' SER . 25.5 ptt? . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.83 0.348 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -124.07 145.72 49.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.34 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.489 HG22 ' OG ' ' A' ' 109' ' ' SER . 87.5 t -125.26 126.58 71.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.512 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 27.3 p -60.51 154.05 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.288 0.566 . . . . 0.0 111.402 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.8 m-20 -54.21 -18.27 3.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.247 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.83 -37.57 29.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 98.5 m -89.12 -35.03 16.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.302 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.401 ' HD3' ' HA3' ' A' ' 121' ' ' GLY . 56.7 ttp180 -62.1 -35.24 78.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -71.15 -32.42 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -110.79 26.61 10.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.22 -179.915 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo . . . . . 0 N--CA 1.46 -0.466 0 N-CA-C 111.363 -0.283 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.0 p -136.4 152.3 50.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 112.971 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.41 135.16 38.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.413 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.98 9.24 57.63 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.343 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 94' ' ' ILE . 3.8 mp -115.3 -70.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.743 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -88.71 -14.95 36.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.665 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 57.8 t-80 53.67 22.12 2.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -107.41 -59.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.534 HG21 ' HB2' ' A' ' 116' ' ' CYS . 79.5 m -63.22 113.07 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 9.2 mtmp? -96.48 121.82 38.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.33 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.535 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.2 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.535 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.745 -0.142 . . . . 0.0 112.745 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 77.9 m-70 -97.31 117.57 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -104.68 130.29 52.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.021 0.438 . . . . 0.0 111.364 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 33.6 t -54.71 123.64 13.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.0 t -58.95 -17.46 24.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.182 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -106.86 -74.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.835 0.35 . . . . 0.0 111.383 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.7 m -60.34 -24.83 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.481 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 63.4 mm-40 74.3 2.77 4.21 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.1 m -66.91 141.61 57.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.22 118.34 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.2 p90 -131.48 163.52 27.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.415 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.534 ' HB2' HG21 ' A' ' 98' ' ' THR . 26.7 p -86.68 171.84 10.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.16 -16.96 23.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.404 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -94.1 -19.66 20.61 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 57.9 m -104.7 23.9 12.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.367 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -178.48 -178.28 47.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.601 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -145.74 164.28 28.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.562 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.822 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.994 0.426 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 33.0 m95 -99.27 151.65 20.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.461 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 45.4 t -134.61 123.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.747 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.4 p -58.93 155.56 13.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.234 0.54 . . . . 0.0 111.431 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -56.08 -17.39 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.043 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.9 mt -82.99 -32.88 26.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -89.15 -41.39 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.386 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -63.05 -33.15 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.689 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -85.23 -56.29 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -52.49 -28.49 20.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 29.7 tt0 -80.94 -6.58 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.579 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.511 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 5.5 Cg_exo . . . . . 0 N--CA 1.464 -0.213 0 N-CA-C 111.693 -0.157 . . . . 0.0 111.693 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 p -136.15 156.09 49.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.551 0.691 . . . . 0.0 112.754 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 96' ' ' HIS . 48.7 t -79.21 123.2 27.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.375 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.431 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -73.37 0.98 45.43 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.505 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -101.32 -72.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.892 0.346 . . . . 0.0 110.646 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.6 p -90.66 -14.29 32.59 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' CYS . 82.4 m-70 59.88 26.75 16.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.712 0.291 . . . . 0.0 111.309 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -113.76 -65.19 1.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.558 HG21 ' HB2' ' A' ' 116' ' ' CYS . 68.3 m -63.2 119.45 9.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -94.93 140.35 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.944 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.8 m-85 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.202 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -95.43 126.85 41.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.719 0.295 . . . . 0.0 110.331 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -113.42 131.21 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 111.432 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 34.6 t -55.04 124.95 18.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.1 t -58.71 -18.53 32.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -107.45 -74.64 0.65 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.4 m -58.13 -25.67 61.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.619 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 70.8 mm-40 72.63 3.89 4.82 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.469 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.7 m -68.38 146.69 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 120.704 0.287 . . . . 0.0 111.088 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -86.06 111.73 20.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.524 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -125.01 163.15 22.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.081 0.467 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.558 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.9 p -87.07 168.47 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.998 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.26 -19.68 15.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.552 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -92.79 -13.48 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 94' ' ' ILE . 24.5 m -107.38 25.73 11.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.8 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.76 -167.2 32.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.32 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -147.32 156.36 26.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.656 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 62.2 ttp180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 121.136 0.494 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 23.9 m95 -103.2 142.38 34.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.214 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 137' ' ' CYS . 34.8 t -123.96 122.91 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.3 154.55 13.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.283 0.563 . . . . 0.0 111.33 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 4.6 m-20 -54.87 -19.25 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.868 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.68 -31.23 32.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.465 ' HB2' HG12 ' A' ' 133' ' ' VAL . 50.0 m -89.47 -35.33 16.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.75 -35.6 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -90.68 -30.73 16.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -75.45 -24.17 56.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.42 21.85 7.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.073 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB2' ' CB ' ' A' ' 100' ' ' PHE . 4.3 Cg_endo . . . . . 0 N--CA 1.458 -0.615 0 N-CA-C 111.3 -0.308 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -135.39 145.09 46.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.7 t -66.85 130.66 43.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.789 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.529 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -75.77 1.16 59.43 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.455 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.683 HD12 ' N ' ' A' ' 94' ' ' ILE . 2.1 mp -109.31 -73.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.739 0.27 . . . . 0.0 111.443 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.9 p -87.07 -12.55 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.762 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 36.8 t-80 51.23 27.71 3.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.725 0.298 . . . . 0.0 111.272 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -109.03 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.2 m -63.5 114.73 4.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.077 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 63.2 mttp -95.98 123.3 39.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.271 179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.4 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.69 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.455 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 94.8 m-70 -99.92 125.56 45.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -113.94 129.17 56.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 36.8 t -54.08 126.15 21.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.236 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 t -63.98 -12.19 35.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.478 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.9 m-85 -103.6 -78.34 0.55 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.33 5.38 14.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 2.5 mp0 58.52 16.13 4.03 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.2 m -64.38 129.43 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 110.838 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -82.5 109.32 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.233 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 5.5 p90 -127.83 164.62 21.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.263 0.554 . . . . 0.0 111.737 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.27 166.54 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.496 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -17.4 15.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.953 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 118' ' ' ARG . 11.0 mtp-105 -95.15 -12.46 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.8 m -112.39 29.88 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -163.68 -170.16 28.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.99 150.02 19.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.802 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 110.798 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 43.8 mtt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.954 0.407 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.455 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 46.3 m95 -123.88 141.32 52.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.0 t -130.27 126.03 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.61 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 32.0 p -58.2 151.13 19.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.531 . . . . 0.0 111.369 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -54.22 -17.71 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.476 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.28 -36.59 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 51.2 m -85.57 -38.04 18.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.09 -38.72 92.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.655 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -65.0 -55.12 20.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.82 -23.19 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -95.8 -4.81 43.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.658 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo . . . . . 0 N--CA 1.457 -0.628 0 N-CA-C 111.354 -0.287 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -135.37 149.22 49.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.552 0.691 . . . . 0.0 112.641 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 50.0 t -70.67 135.9 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.471 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.89 9.02 55.03 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.398 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 94' ' ' ILE . 4.2 mp -117.83 -72.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.2 p -88.08 -6.78 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.885 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 28.5 p80 44.98 27.61 0.3 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -110.61 -56.81 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.5 HG21 ' HB2' ' A' ' 116' ' ' CYS . 86.6 m -63.11 113.53 3.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.026 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 23.6 mtpp -94.1 119.03 32.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.0 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 120.753 0.085 . . . . 0.0 112.909 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.551 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 88.4 m-70 -97.7 124.6 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 110.596 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -113.93 134.08 55.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 27.4 t -55.23 122.73 11.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.1 t -58.94 -17.54 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.139 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.25 -74.98 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.579 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.4 m -59.33 -24.89 63.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.59 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 75.44 2.48 3.83 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.4 m -65.71 141.99 58.17 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.9 112.73 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -128.44 162.96 25.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.279 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.5 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.7 p -86.95 170.87 11.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.75 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.19 -15.34 23.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.702 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -93.52 -17.65 23.15 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.403 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 88.4 m -109.22 35.69 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.84 -153.52 10.86 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.213 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.66 152.63 23.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.042 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.662 0.268 . . . . 0.0 110.781 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 12.4 ptp . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.944 0.402 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.551 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 40.8 m95 -105.83 149.66 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.84 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 40.0 t -132.76 123.58 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.616 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 18.7 p -60.77 155.62 18.93 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.226 0.536 . . . . 0.0 111.797 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 93.8 m-20 -55.38 -18.64 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.019 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.93 -32.35 34.66 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 110.145 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.474 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 56.0 m -88.9 -36.86 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.06 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.01 -30.11 71.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.636 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -88.63 -51.3 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.18 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -96.16 21.12 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.082 179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.1 Cg_exo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 110.464 -0.629 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 p -133.41 146.87 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.06 138.39 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.513 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.1 14.29 44.98 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.481 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 94' ' ' ILE . 4.6 mp -121.8 -69.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.4 p -89.33 -8.36 53.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.649 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 16.4 p80 44.84 27.56 0.28 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.663 0.268 . . . . 0.0 111.662 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -113.09 -58.14 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 116' ' ' CYS . 77.4 m -63.27 115.0 4.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.994 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 51.9 mttp -93.32 126.31 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.342 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 10.3 m-85 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.811 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.239 0 N-CA-C 112.633 -0.187 . . . . 0.0 112.633 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -95.76 124.58 39.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.782 0.325 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -113.43 134.12 54.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 34.7 t -56.76 123.51 15.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.754 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 132' ' ' TRP . 46.6 t -59.53 -16.97 28.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.955 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -105.18 -75.3 0.63 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.884 0.374 . . . . 0.0 111.458 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 4.8 m -61.81 -23.97 66.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.718 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 10.0 mm100 74.12 3.81 4.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.345 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 88.9 m -66.44 146.49 54.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.871 0.367 . . . . 0.0 111.202 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -86.73 113.34 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.491 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.4 p90 -126.96 163.08 24.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.221 0.534 . . . . 0.0 111.462 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.567 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.4 p -87.37 171.59 10.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.681 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.71 -18.61 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -96.33 -14.49 22.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 57.9 m -109.16 33.57 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.13 -157.77 14.76 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.373 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -157.4 160.3 30.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.641 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.731 0.301 . . . . 0.0 110.733 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 41.4 mtt . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 121.164 0.507 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 56.8 m95 -107.57 139.64 41.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.158 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 92.4 t -130.2 127.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.421 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 25.0 p -58.15 153.8 14.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.294 0.568 . . . . 0.0 111.741 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -54.78 -18.95 5.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.985 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.65 -33.59 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.179 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 23.3 m -89.25 -36.22 15.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.207 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -62.43 -34.82 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.697 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -87.0 -48.63 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -54.04 -23.97 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -106.25 0.5 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.716 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 6.3 Cg_endo . . . . . 0 N--CA 1.454 -0.8 0 N-CA-C 111.087 -0.39 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 p -137.09 148.17 46.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.57 138.14 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.185 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 114' ' ' LYS . . . -86.55 15.27 52.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.558 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.8 mp -124.3 -56.79 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.939 0.399 . . . . 0.0 110.74 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.67 -26.28 24.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 60.61 22.9 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.513 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -130.63 -46.35 1.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.702 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.9 m -63.14 111.55 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 17.8 mtpp -93.98 128.33 40.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.854 0.359 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.8 127.15 42.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.704 0.288 . . . . 0.0 110.322 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -112.17 127.73 56.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 33.7 t -54.77 124.22 15.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 47.4 t -63.76 -12.23 33.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.639 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.474 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 97.0 m-85 -102.75 -79.23 0.53 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.9 p -79.98 5.03 15.09 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 2.6 mp0 59.88 14.72 4.41 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.3 m -65.73 133.38 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 93.6 mttt -84.13 114.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.111 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 11.5 p90 -131.17 163.5 27.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.116 0.484 . . . . 0.0 111.35 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.6 p -86.27 167.64 14.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.687 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.42 -17.45 8.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.122 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -93.66 -14.67 26.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 94.4 m -110.21 38.6 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 111.254 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 177.71 166.86 34.99 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.4 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -119.3 159.01 14.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.825 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.404 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 18.6 ptp . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 121.09 0.471 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -108.92 149.71 28.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.564 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.2 125.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.7 p -60.91 155.56 19.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.604 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.78 -15.58 8.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.218 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.29 -35.51 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 110.671 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 92.0 m -89.36 -34.06 16.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -63.71 -38.5 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.022 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.01 -55.04 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -55.01 -22.64 16.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.285 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 36.0 tt0 -104.94 -0.27 27.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.741 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.973 -179.88 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 5.8 Cg_exo . . . . . 0 N--CA 1.461 -0.399 0 N-CA-C 111.227 -0.336 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.6 p -134.83 149.74 50.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 0.0 112.703 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.16 136.44 44.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.594 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.15 12.32 50.7 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.344 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 94' ' ' ILE . 4.4 mp -119.56 -69.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -88.78 -11.05 46.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.763 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.3 m80 49.78 24.67 1.31 Allowed 'General case' 0 N--CA 1.46 0.062 0 CA-C-O 120.756 0.312 . . . . 0.0 111.465 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -112.24 -59.02 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 116' ' ' CYS . 88.8 m -63.12 109.47 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.6 mtpt -93.14 122.91 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.684 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.649 -0.181 . . . . 0.0 112.649 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.407 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 80.5 m-70 -97.11 125.88 41.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -112.9 128.82 56.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.151 0.501 . . . . 0.0 111.018 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 35.6 t -55.31 124.99 18.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.307 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.6 t -64.19 -11.64 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.778 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.52 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.7 m-85 -105.64 -79.21 0.56 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.4 p -77.67 2.27 17.26 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 2.6 mp0 62.9 12.83 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.5 m -65.01 133.62 52.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 111.053 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 88.6 mttt -83.27 114.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.147 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CE2' ' N ' ' A' ' 134' ' ' CYS . 8.9 p90 -131.72 163.62 27.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.196 0.522 . . . . 0.0 111.771 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.3 p -86.84 168.18 13.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.472 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.31 -16.97 16.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.802 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -93.49 -16.98 23.93 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.9 m -108.04 37.6 2.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.039 0.447 . . . . 0.0 110.877 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.6 -156.83 16.34 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.292 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.26 155.89 26.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.601 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 110.654 179.813 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.1 ptp . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 121.155 0.502 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' SER . 45.0 m95 -109.83 140.25 43.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.347 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 64.3 t -129.67 128.91 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.822 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.501 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 31.6 p -58.87 153.18 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 0.0 111.14 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -57.15 -16.07 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.057 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.4 mt -82.0 -35.3 29.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.685 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.441 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 57.7 m -89.41 -36.82 15.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -62.99 -37.68 88.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -88.39 -50.6 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 28.8 tt0 -53.01 -28.83 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.01 16.27 25.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.385 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.676 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.499 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo . . . . . 0 N--CA 1.457 -0.657 0 N-CA-C 111.118 -0.378 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.6 p -139.42 152.42 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.28 134.55 42.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.401 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.34 8.57 60.88 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.622 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.1 mp -117.01 -56.03 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.9 m -84.91 -25.27 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 54.1 t-80 61.65 18.6 9.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.11 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -132.67 -43.71 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 0.0 110.788 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.515 HG21 ' CB ' ' A' ' 116' ' ' CYS . 74.6 m -62.6 108.44 1.14 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.8 mttp -94.27 132.98 38.29 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 5.2 m-85 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.196 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.229 0 CA-C-O 120.796 0.109 . . . . 0.0 113.039 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.463 ' CB ' ' CE1' ' A' ' 115' ' ' PHE . 93.0 m-70 -99.78 132.35 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 110.793 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -116.79 126.6 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.097 0.475 . . . . 0.0 110.703 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 34.3 t -54.44 125.98 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.736 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 132' ' ' TRP . 31.2 t -63.73 -12.99 39.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.672 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 141' ' ' GLN . 93.0 m-85 -104.57 -84.11 0.49 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.91 -4.57 25.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 72.6 mm-40 67.19 10.1 7.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 m -65.02 133.94 52.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.291 . . . . 0.0 110.926 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 90.7 mttt -83.18 117.97 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 6.2 p90 -128.24 163.39 24.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.526 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.515 ' CB ' HG21 ' A' ' 98' ' ' THR . 31.6 p -86.97 171.98 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.71 -19.47 16.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.602 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -94.69 -16.13 23.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 65.1 m -107.93 29.03 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.488 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.84 163.22 30.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.787 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -126.08 165.32 19.31 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.378 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 68.8 ttp85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.518 -0.272 0 CA-C-O 121.133 0.492 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.432 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 35.5 m95 -102.84 137.79 40.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.318 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.5 t -131.78 134.0 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.717 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.1 p -59.85 151.92 24.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.145 0.498 . . . . 0.0 111.017 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -54.93 -18.55 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.131 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -81.48 -37.62 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 58.4 m -88.51 -34.77 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.071 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -63.37 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -84.49 -40.45 17.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -34.75 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.911 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 110' ' ' TYR . 1.3 mp0 -95.33 11.06 33.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.44 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.933 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.456 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 3.4 Cg_endo . . . . . 0 N--CA 1.456 -0.686 0 N-CA-C 111.232 -0.334 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.0 p -139.32 146.39 40.25 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.4 t -64.54 133.69 52.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.67 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.09 3.62 61.04 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.93 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 94' ' ' ILE . 4.2 mp -114.92 -55.88 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.02 -23.98 28.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 57.05 22.03 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -129.77 -48.44 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.401 . . . . 0.0 110.751 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.8 m -62.8 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.353 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.1 mtmm -94.22 130.01 40.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.949 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 13.1 m-85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.853 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -98.83 124.9 44.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.937 0.398 . . . . 0.0 110.483 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -113.3 129.38 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.83 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 25.4 t -54.77 124.0 15.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.53 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' HG22 ' A' ' 133' ' ' VAL . 96.2 p -63.33 -13.44 39.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.406 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 97.3 m-85 -103.1 -82.2 0.49 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.9 p -77.58 3.63 13.25 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 27.1 mp0 62.5 12.48 5.44 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.7 m -64.31 127.57 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 0.0 110.765 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -81.5 112.09 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.494 . . . . 0.0 110.24 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 9.2 p90 -124.84 163.67 21.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.618 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.2 p -86.7 170.94 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.368 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.41 -19.11 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.841 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.43 -15.99 22.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 71.6 m -107.98 34.08 3.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.952 0.406 . . . . 0.0 111.489 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.464 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -177.14 177.95 48.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.23 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.92 155.23 23.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.87 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.501 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 56.8 ttp180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' ' 109' ' ' SER . 44.7 mtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.885 0.374 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.501 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 18.8 m95 -115.21 143.74 44.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 85.5 t -125.38 129.14 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.68 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.4 p -63.2 153.98 32.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.268 0.556 . . . . 0.0 111.287 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.9 m-20 -54.38 -18.49 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.357 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.74 -38.39 28.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.039 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 90.0 m -85.81 -33.9 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.988 0.423 . . . . 0.0 110.172 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.07 -32.14 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.882 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -90.75 -46.31 8.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -67.85 -32.76 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -147.32 57.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.451 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 2.0 Cg_endo . . . . . 0 N--CA 1.458 -0.588 0 N-CA-C 110.939 -0.446 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -138.39 147.63 43.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.492 0.663 . . . . 0.0 112.784 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.5 t -68.65 135.49 51.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.632 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.84 19.65 24.11 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.587 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.6 mp -123.56 -67.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.5 p -88.71 -19.36 26.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 56.13 37.84 29.25 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.053 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -126.28 -54.52 1.47 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.321 . . . . 0.0 111.118 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.2 m -63.61 118.76 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -97.08 123.88 40.95 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 12.3 m-85 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.117 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -96.28 120.84 37.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.497 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 113' ' ' THR . 6.4 m-20 -113.57 133.68 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 33.4 t -55.02 125.64 21.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.563 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.1 t -58.74 -17.5 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -108.05 -72.44 0.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.88 0.371 . . . . 0.0 111.365 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.2 m -60.54 -24.43 65.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.518 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 82.3 mm-40 68.99 7.69 6.39 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.27 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 107' ' ' ASN . 62.7 m -67.13 143.96 56.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -85.0 110.29 18.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.734 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -126.97 163.48 23.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.241 0.544 . . . . 0.0 111.673 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.8 p -87.16 171.79 10.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.604 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.48 -13.12 26.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.972 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -95.53 -14.83 23.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.65 29.7 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 111.31 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.5 -177.27 41.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.326 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -139.55 153.57 23.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 44.9 mtp . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.017 0.437 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 29.3 m95 -101.51 136.95 40.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.957 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.6 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.655 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.6 p -58.13 152.5 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -54.01 -20.34 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.889 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.1 mt -80.2 -32.96 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.031 0.443 . . . . 0.0 110.068 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.48 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 19.2 m -89.65 -28.42 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.138 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.66 -41.04 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -91.25 -44.55 9.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 53.6 tt0 -61.54 -33.39 73.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -117.35 16.67 14.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.465 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.213 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.2 Cg_endo . . . . . 0 N--CA 1.457 -0.63 0 N-CA-C 111.387 -0.274 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -137.54 148.58 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 47.6 t -71.51 138.0 48.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.618 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.92 59.99 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.494 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 94' ' ' ILE . 4.3 mp -121.38 -55.83 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.835 0.35 . . . . 0.0 110.755 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.74 -24.32 25.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 57.13 22.24 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -131.59 -49.22 0.97 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.4 m -62.83 108.05 1.11 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.259 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 33.6 mtmm -93.21 130.41 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.04 0.448 . . . . 0.0 110.586 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.2 m-85 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.306 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.144 0 CA-C-O 120.883 0.157 . . . . 0.0 113.077 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -98.93 130.9 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.633 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -117.42 129.46 55.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.129 0.49 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 38.1 t -55.14 125.94 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.271 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' TRP . 23.8 t -62.94 -13.49 35.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.626 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.84 -84.0 0.48 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -71.69 -3.24 20.69 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 12.6 mm100 66.03 12.83 8.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 31.7 m -64.64 133.72 52.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.0 mttp -83.16 115.01 21.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 5.5 p90 -128.83 163.22 25.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.1 p -87.41 172.04 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.926 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.45 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.402 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 16.5 ptm180 -95.27 -11.76 27.37 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 55.2 m -104.71 31.83 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.267 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.493 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -169.66 -167.22 29.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.536 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -150.61 142.0 9.21 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.687 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.49 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 10.4 ptp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.801 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.9 ptt? . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 121.252 0.549 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.49 ' CZ2' ' HB3' ' A' ' 122' ' ' ARG . 37.9 m95 -106.08 137.46 43.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.305 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.86 131.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.67 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.4 p -59.01 150.08 25.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.024 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -54.22 -17.36 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.42 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 mt -82.31 -40.15 21.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.71 -37.92 22.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 0.0 110.298 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -64.24 -34.58 78.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.28 -55.27 3.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -50.8 -31.67 17.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.257 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -124.64 34.86 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.075 0.464 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.405 ' HG3' ' OXT' ' A' ' 142' ' ' GLU . 9.0 pt-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.021 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.6 Cg_endo . . . . . 0 N--CA 1.458 -0.606 0 N-CA-C 111.504 -0.229 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 p -133.13 147.76 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.369 0.604 . . . . 0.0 112.468 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.6 t -70.61 130.26 41.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.463 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.515 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -74.74 -0.36 59.06 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.341 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.685 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -108.31 -72.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.73 0.265 . . . . 0.0 111.439 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -87.5 -10.44 51.74 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.5 m80 49.87 24.98 1.43 Allowed 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.675 0.274 . . . . 0.0 111.496 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -108.07 -63.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 116' ' ' CYS . 81.8 m -63.31 117.15 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.034 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 60.3 mttp -94.8 123.38 38.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.252 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.4 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.221 0 CA-C-O 120.837 0.132 . . . . 0.0 112.848 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.422 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 77.0 m-70 -95.73 120.85 36.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.947 0.403 . . . . 0.0 110.43 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -110.47 132.28 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.973 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 20.9 t -55.68 122.37 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.251 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 34.3 t -58.02 -18.88 27.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -104.62 -74.81 0.64 Allowed 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.381 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 5.8 m -59.9 -25.26 64.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.686 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 73.9 mm-40 73.34 4.05 4.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 57.7 m -67.72 145.52 54.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.855 0.36 . . . . 0.0 111.143 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.494 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 45.3 mtmt -86.14 114.64 23.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.495 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.9 p90 -128.96 163.0 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.196 0.522 . . . . 0.0 111.274 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.2 p -88.1 171.67 10.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.571 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.43 26.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.529 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 118' ' ' ARG . 13.6 mmp_? -92.58 -20.84 20.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.327 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 68.7 m -105.24 25.08 11.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.96 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -171.04 176.89 44.26 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.492 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -134.71 157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.483 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 4.3 ptm85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 110.732 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.412 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 22.0 ptt? . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 121.164 0.507 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.483 ' CZ2' ' HB3' ' A' ' 122' ' ' ARG . 18.7 m95 -101.47 142.7 32.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.545 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.479 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.8 t -128.18 128.26 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.354 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.2 p -57.87 152.7 15.45 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.152 0.501 . . . . 0.0 111.72 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -55.53 -18.95 8.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.746 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 136' ' ' LEU . 4.5 mt -80.95 -31.54 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.045 0.45 . . . . 0.0 109.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.479 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 15.6 m -89.59 -31.01 17.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 178.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.18 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -88.85 -45.3 9.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.548 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -79.06 -37.15 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -112.24 25.45 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.491 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.165 -0.922 . . . . 0.0 111.066 179.676 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.25 119.42 13.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.56 98.41 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -124.69 25.34 7.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.69 20.79 78.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.736 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -80.6 124.98 29.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.31 166.05 38.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.454 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo -83.7 130.71 5.19 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.24 2.626 . . . . 0.0 111.523 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -134.9 149.66 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.511 0.672 . . . . 0.0 112.711 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 52.6 t -73.13 136.04 44.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.355 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.62 13.31 48.06 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.311 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.5 mp -119.41 -69.26 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.1 p -88.95 -14.11 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.5 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 33.4 t-80 52.97 23.49 2.91 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -111.18 -58.16 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.909 0.385 . . . . 0.0 110.622 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 116' ' ' CYS . 68.8 m -63.22 112.19 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.5 mtmt -94.17 124.32 38.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.216 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 -56.18 169.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.16 -171.35 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.278 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -58.18 94.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.49 -105.96 0.58 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.623 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.5 p -142.6 140.0 31.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -80.71 -136.17 1.72 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.797 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.42 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 66.5 m-70 -96.68 121.38 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.709 0.29 . . . . 0.0 110.638 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -110.03 129.9 55.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 29.9 t -54.7 122.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.5 t -59.41 -17.31 29.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.94 -77.69 0.58 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.356 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.8 m -58.46 -24.73 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.688 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 63.2 mm-40 74.97 2.83 4.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.8 m -67.68 145.19 55.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 111.302 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.3 mttp -86.6 116.39 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.455 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.8 p90 -130.53 163.26 27.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 111.309 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.429 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.8 p -86.88 171.79 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.735 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.12 -15.87 27.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.977 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -94.42 -17.94 22.02 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 93.2 m -106.84 29.21 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -173.22 -172.07 38.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.593 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.92 158.01 27.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.437 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -88.54 121.83 31.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.7 t -136.62 92.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.5 m -91.42 131.79 36.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.043 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.2 mt -92.66 79.14 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.084 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 67.19 135.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.839 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 63.8 m -44.08 97.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.073 0.463 . . . . 0.0 111.458 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.5 t30 179.82 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -154.86 127.6 8.07 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.365 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.5 t -96.3 118.47 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.99 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 54.2 mtt -113.39 143.34 44.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.42 ' CE2' ' ND1' ' A' ' 106' ' ' HIS . 39.9 m95 -114.57 131.48 56.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 65.5 t -118.68 125.22 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.755 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.2 p -58.42 155.02 12.63 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.165 0.507 . . . . 0.0 111.577 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -55.9 -18.56 9.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.814 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.99 -31.17 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 22.4 m -89.65 -45.08 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.439 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.02 -29.2 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -88.77 -51.75 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.0 -33.17 75.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.42 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -89.31 9.71 25.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.506 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.908 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.872 0.368 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -156.57 126.37 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -154.49 -77.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.63 177.75 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.43 -98.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.566 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -125.14 128.12 47.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.96 162.82 66.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.986 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.8 Cg_endo -83.62 137.31 7.81 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.05 2.5 . . . . 0.0 111.702 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 p -137.24 147.13 45.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.891 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 44.2 t -68.05 136.66 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.679 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.57 16.6 34.66 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.3 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.6 mp -124.45 -70.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 110.587 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.7 p -90.13 -8.2 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.842 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 26.6 p-80 45.39 29.55 0.59 Allowed 'General case' 0 C--O 1.231 0.097 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -111.17 -61.12 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.746 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.475 HG21 ' HB2' ' A' ' 116' ' ' CYS . 86.4 m -63.37 116.69 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.26 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -95.12 124.75 39.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.491 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 -61.92 179.39 0.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.522 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 102' ' ' ASP . . . -129.9 157.01 43.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.513 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 101' ' ' ALA . 18.6 t70 69.72 6.7 5.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.716 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.28 -36.69 4.19 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.45 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 43.0 t -142.16 140.49 32.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.035 0.417 . . . . 0.0 111.449 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -98.91 -129.33 6.48 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.25 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 132' ' ' TRP . 40.2 m-70 -98.22 117.75 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -109.55 137.66 47.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.891 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.893 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.4 t -55.33 126.26 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.2 t -58.39 -18.26 26.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.274 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 81.7 m-85 -111.11 -73.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.275 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 11.9 m -56.17 -24.42 41.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.36 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 15.3 mm100 69.42 5.66 5.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.705 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.9 m -67.26 143.44 56.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 94.2 mttt -85.27 113.75 21.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.969 0.414 . . . . 0.0 110.702 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.477 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.7 p90 -130.62 163.43 27.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.564 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.475 ' HB2' HG21 ' A' ' 98' ' ' THR . 30.9 p -87.35 172.07 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.987 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.9 34.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -92.12 -18.18 23.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.503 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 94.6 m -110.12 35.55 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 174.83 163.19 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.611 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -118.48 148.32 18.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.439 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 57.2 ttp180 -88.73 133.3 34.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.9 t -132.13 123.37 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.3 t -93.86 136.72 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.8 mt -93.58 -46.66 7.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -139.99 -60.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 87.5 p -175.26 -38.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.02 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -105.07 -26.32 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.19 95.57 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.811 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.58 141.23 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.37 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.2 ptm -141.79 145.8 35.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.452 ' CG ' ' HB3' ' A' ' 106' ' ' HIS . 41.0 m95 -118.2 133.52 55.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.489 HG13 ' HB2' ' A' ' 137' ' ' CYS . 53.0 t -114.07 121.6 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.0 p -63.07 156.91 23.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.087 0.47 . . . . 0.0 110.921 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -54.36 -19.32 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.17 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.24 -36.53 27.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 110.697 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.489 ' HB2' HG13 ' A' ' 133' ' ' VAL . 86.2 m -89.1 -34.63 16.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.32 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' HG12 ' A' ' 133' ' ' VAL . 60.2 ttp180 -62.95 -39.27 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.015 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -77.91 -45.12 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.76 -28.0 68.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.98 -9.96 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.407 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.813 179.794 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.891 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.893 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -131.93 114.84 15.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -136.72 174.05 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -133.98 32.82 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.48 96.23 0.1 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.776 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -92.71 144.77 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.587 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' HB1' ' NZ ' ' A' ' 99' ' ' LYS . . . -70.3 162.7 68.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.3 Cg_endo -84.0 131.31 5.12 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.33 2.687 . . . . 0.0 111.594 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 p -135.88 148.02 48.44 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.888 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 53.6 t -68.79 137.23 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.89 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.63 12.74 50.93 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.332 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 94' ' ' ILE . 4.4 mp -120.72 -70.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.615 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.7 p -89.41 -9.25 50.94 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.611 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 47.0 p-80 45.24 33.2 1.12 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.596 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -117.33 -58.18 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.786 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.524 HG21 ' HB2' ' A' ' 116' ' ' CYS . 83.0 m -63.17 121.18 13.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 19.1 mtpp -92.47 123.03 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.053 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.503 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 12.9 m-85 -51.57 174.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.164 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.12 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.417 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -128.1 -37.36 1.89 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.548 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.41 -60.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.995 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 75.4 m -100.15 93.9 5.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.637 0.256 . . . . 0.0 111.508 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.503 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -73.57 -127.73 0.13 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.468 -0.873 . . . . 0.0 112.222 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -99.09 117.46 33.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.274 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -107.98 134.47 50.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.898 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 25.4 t -55.8 121.95 10.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.4 t -58.77 -17.87 26.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -104.46 -76.54 0.6 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.75 0.309 . . . . 0.0 111.449 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -59.12 -24.51 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 75.62 1.77 3.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.145 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.6 m -66.12 144.27 56.78 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.872 0.368 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 45.7 mtmt -86.42 114.05 22.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -128.74 163.67 24.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.524 ' HB2' HG21 ' A' ' 98' ' ' THR . 32.0 p -86.7 171.38 11.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.652 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.74 -14.78 35.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.741 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -94.59 -17.99 21.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 66.0 m -106.91 34.73 3.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.059 0.457 . . . . 0.0 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.17 179.27 47.35 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -131.92 161.73 23.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.692 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.43 ' HG2' ' CZ2' ' A' ' 132' ' ' TRP . 98.7 mtt180 -88.02 131.68 34.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 110.778 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.9 t -133.07 120.07 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.255 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -92.68 131.2 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.684 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -146.52 167.79 22.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.063 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 54.15 -170.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.027 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 83.9 p -44.02 -49.01 8.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.575 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -176.83 39.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -86.69 140.08 30.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.566 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.8 t -97.61 129.28 47.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.58 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtt -138.72 140.0 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.747 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 44.2 m95 -108.48 144.34 36.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.397 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.0 t -130.25 124.02 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.58 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.2 p -58.0 154.37 12.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.324 0.583 . . . . 0.0 111.776 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -56.13 -17.24 6.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.119 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.66 -34.23 30.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.197 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -86.65 -30.21 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.109 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.204 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -86.74 -48.37 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.27 -24.12 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -109.72 13.84 23.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.498 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.949 179.701 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.888 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.898 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.871 0.367 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -130.45 57.94 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -103.65 84.92 2.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -90.8 131.01 36.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.34 71.49 1.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.555 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.53 124.53 47.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.778 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.02 161.27 79.13 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.991 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.9 Cg_endo -84.29 123.44 3.04 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.337 2.691 . . . . 0.0 111.327 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 7.0 p -137.57 148.34 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 42.1 t -74.49 135.89 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.776 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.35 10.63 58.35 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.284 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.1 mp -117.52 -67.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.716 0.293 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -90.81 -12.54 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.862 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 m80 50.51 24.37 1.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.726 0.298 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -110.19 -61.96 1.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.0 m -63.1 114.62 3.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.935 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.4 mtpt -92.6 123.24 35.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 5.4 m-85 -54.44 174.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.38 144.15 33.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.684 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 45.88 27.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 90' ' ' PRO . . . 57.21 44.6 93.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.964 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 53.1 t -146.66 56.15 1.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 122.81 -0.23 . . . . 0.0 111.373 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.567 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -62.94 -164.18 0.45 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.988 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 60.4 m-70 -99.68 115.43 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 110.114 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -103.86 136.5 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.169 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.893 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 25.7 t -54.2 125.78 20.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t -59.1 -17.42 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.423 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -111.34 -72.15 0.73 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.655 0.264 . . . . 0.0 111.386 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 14.6 m -57.23 -25.29 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 79.4 mm-40 71.03 4.64 5.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.648 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.9 m -67.07 141.97 57.3 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.636 0.255 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -84.49 115.46 22.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -132.0 163.7 27.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.182 0.515 . . . . 0.0 111.707 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.7 170.43 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.73 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.16 -15.64 25.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.612 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -92.4 -18.71 22.91 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.415 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 71.3 m -107.1 29.62 6.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.023 0.44 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 176.79 171.83 40.81 Favored Glycine 0 CA--C 1.517 0.177 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.266 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.84 153.46 17.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.822 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.504 ' HB3' ' CH2' ' A' ' 132' ' ' TRP . 37.9 ptt180 -89.48 128.43 35.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.709 0.29 . . . . 0.0 110.732 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 48.8 t -136.6 93.49 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.303 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.4 p -93.22 112.22 24.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.652 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.439 HD12 ' CE ' ' A' ' 131' ' ' MET . 83.0 mt -92.95 140.4 29.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.115 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 63.75 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.2 m -169.74 -53.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 111.163 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -90.58 -17.3 27.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.398 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -84.48 91.66 7.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.985 0.421 . . . . 0.0 111.142 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t -98.7 124.79 52.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.439 ' CE ' HD12 ' A' ' 125' ' ' LEU . 20.3 ptp -139.62 152.26 46.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.723 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.573 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 24.6 m95 -123.99 151.7 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 111.357 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.465 HG13 ' HB2' ' A' ' 137' ' ' CYS . 46.9 t -124.42 120.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.449 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 17.8 p -67.21 157.37 33.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 0.0 110.803 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -54.16 -19.13 4.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.239 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.25 -37.28 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.465 ' HB2' HG13 ' A' ' 133' ' ' VAL . 94.9 m -86.57 -32.88 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.313 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.451 ' HB2' HG12 ' A' ' 133' ' ' VAL . 56.9 ttp180 -62.53 -40.6 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.55 -43.12 13.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.08 -25.08 66.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 141' ' ' GLN . 34.4 tt0 -112.19 11.5 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.232 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.893 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.834 0.349 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -101.94 97.92 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -96.4 146.29 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.036 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -148.54 92.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.77 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.24 167.96 20.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.404 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -63.19 126.09 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.382 . . . . 0.0 110.707 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.84 166.0 36.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.508 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo -81.3 146.89 15.86 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.123 2.549 . . . . 0.0 111.667 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.6 p -138.37 153.29 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.528 0.68 . . . . 0.0 112.789 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.892 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 43.5 t -74.78 138.07 42.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.623 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.15 16.79 36.33 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.364 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -123.84 -70.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.963 0.411 . . . . 0.0 110.576 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.7 p -89.82 -9.72 48.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.686 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 33.6 t-80 48.12 25.68 0.87 Allowed 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.632 0.254 . . . . 0.0 111.489 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -109.58 -60.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.714 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.501 HG21 ' HB2' ' A' ' 116' ' ' CYS . 82.5 m -63.12 116.64 5.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -95.26 130.37 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.184 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 114' ' ' LYS . 4.1 m-85 -63.92 161.66 15.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.774 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.77 165.71 11.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.432 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.2 t70 67.38 -63.47 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -169.54 -41.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.871 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 26.6 p -141.83 140.99 33.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.512 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -89.45 -135.1 5.53 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.092 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -96.45 130.01 43.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.739 0.304 . . . . 0.0 110.57 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -117.81 135.35 54.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.38 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.9 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 36.3 t -54.75 127.11 26.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.992 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 131' ' ' MET . 32.7 t -58.59 -18.3 28.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.383 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -111.38 -72.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 0.0 111.595 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.08 -24.71 59.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.641 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 69.11 7.01 5.98 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.539 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.0 m -66.45 146.13 54.89 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.724 0.297 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 81.0 mttt -86.72 110.73 20.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.452 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.3 p90 -128.63 163.43 25.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.182 0.515 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.501 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.1 p -86.76 171.56 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.075 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -94.5 -16.73 23.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 82.4 m -108.25 34.41 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.106 0.479 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.2 170.33 38.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.274 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -130.67 154.11 20.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -89.04 142.42 27.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.829 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.12 110.61 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.1 p -91.89 129.99 37.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.737 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 129' ' ' LYS . 49.0 mt -93.6 177.27 6.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.472 ' N ' ' NE ' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -52.23 -71.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.39 -179.449 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.7 t -49.17 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.225 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -178.1 33.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.35 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 129' ' ' LYS . 12.8 mptt -86.52 111.66 20.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.975 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.2 t -94.98 114.15 30.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.366 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.421 ' HB3' ' HB2' ' A' ' 109' ' ' SER . 38.3 mtt -136.2 141.36 44.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -99.8 151.32 21.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.514 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 137' ' ' CYS . 43.1 t -127.36 120.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.473 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.2 p -61.88 155.2 23.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.422 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 95.1 m-20 -53.48 -19.56 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.128 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.84 -33.67 27.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.462 ' HB2' HG13 ' A' ' 133' ' ' VAL . 55.5 m -89.3 -34.17 16.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.479 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.447 ' N ' ' CG1' ' A' ' 133' ' ' VAL . 45.9 ttp180 -61.97 -41.85 98.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.57 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 139' ' ' LYS . 1.3 tmtp? -81.2 -56.89 3.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -50.69 -25.89 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 141' ' ' GLN . 9.8 tt0 -111.22 18.36 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.873 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.892 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.9 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -107.05 100.64 10.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.017 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -155.28 83.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -176.99 -41.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.38 145.91 7.73 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.625 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -122.89 112.99 18.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.84 159.79 84.46 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.461 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 2.5 Cg_endo -83.67 134.67 6.54 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.126 2.55 . . . . 0.0 111.24 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.423 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 6.1 p -136.64 153.76 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.894 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 37.7 t -74.32 137.08 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.609 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.29 20.67 15.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.583 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 115' ' ' PHE . 4.9 mp -127.06 -69.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.327 . . . . 0.0 110.5 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -89.0 -12.82 40.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.305 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 65.3 m80 50.96 32.84 7.93 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.441 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -117.2 -61.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.966 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 116' ' ' CYS . 99.8 m -62.74 119.66 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.275 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -94.88 128.65 41.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.494 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.492 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 -61.09 -175.11 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.7 -160.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -47.65 -31.34 4.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.78 -118.95 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.348 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.2 p -97.04 151.16 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.773 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.492 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -91.96 -122.31 2.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.621 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -96.22 121.0 37.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.192 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -112.23 135.26 53.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 28.8 t -56.42 123.89 16.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' A' ' 131' ' ' MET . 69.6 p -58.56 -18.35 28.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -107.71 -73.75 0.68 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.427 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -58.71 -25.54 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 73.52 3.72 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.4 m -66.48 144.16 56.65 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.909 0.385 . . . . 0.0 111.153 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 31.2 mtmm -86.17 112.34 21.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.723 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.459 ' HB3' HD11 ' A' ' 94' ' ' ILE . 3.5 p90 -125.9 162.77 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.189 0.519 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.502 ' HB2' HG21 ' A' ' 98' ' ' THR . 30.7 p -87.49 171.36 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.899 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.67 25.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.677 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.44 -17.38 22.54 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.8 29.46 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.0 0.429 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.437 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.83 167.06 36.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.398 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.52 171.13 22.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.778 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -88.15 132.78 34.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.8 t -134.88 110.97 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.3 t -92.88 138.97 31.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.98 48.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 69.27 -62.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.4 p -63.53 -158.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.235 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -92.46 22.71 4.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.623 0.249 . . . . 0.0 111.276 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -86.41 107.48 18.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.5 t -94.57 117.2 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.261 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.452 ' HB3' ' HB3' ' A' ' 109' ' ' SER . 37.7 mtt -137.86 141.33 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -100.2 142.43 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.301 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.531 HG12 ' HB2' ' A' ' 137' ' ' CYS . 16.5 t -124.96 126.13 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.4 p -60.15 155.02 18.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.19 0.519 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.7 m-20 -54.32 -19.16 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.964 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.1 -33.25 29.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.531 ' HB2' HG12 ' A' ' 133' ' ' VAL . 23.3 m -89.54 -35.76 15.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.326 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -63.21 -36.08 82.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.976 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 135' ' ' ASN . 56.1 mtmt -90.25 -33.41 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -74.16 -25.97 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -85.23 -9.26 57.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.813 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.898 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.894 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -85.06 78.82 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -75.21 -36.38 61.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -107.32 150.78 26.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 123.78 136.47 4.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.255 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -80.82 112.69 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.958 0.409 . . . . 0.0 110.941 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.01 161.96 76.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.0 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo -83.57 135.6 7.05 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.071 2.514 . . . . 0.0 111.323 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.2 p -133.47 149.84 51.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.497 0.665 . . . . 0.0 112.73 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.895 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 52.9 t -72.45 136.64 46.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.456 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.02 11.99 51.79 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.804 -0.713 . . . . 0.0 113.413 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.3 mp -119.31 -69.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.831 0.348 . . . . 0.0 110.761 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.8 p -88.67 -10.12 49.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.633 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.1 m80 48.66 25.64 1.03 Allowed 'General case' 0 C--N 1.335 -0.041 0 CA-C-O 120.736 0.303 . . . . 0.0 111.397 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -112.92 -58.14 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 116' ' ' CYS . 96.9 m -63.12 111.82 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.198 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -94.36 126.89 39.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.228 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 -59.6 168.49 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.56 -72.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.39 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.91 80.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.05 -84.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.619 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.8 t -145.26 106.34 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 111.075 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -65.78 -134.81 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.494 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -96.14 118.23 32.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.327 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.54 HD22 ' HG2' ' A' ' 114' ' ' LYS . 4.0 m-20 -106.81 135.22 48.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.308 -179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 37.6 t -56.32 125.21 20.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.921 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.1 t -58.75 -17.75 25.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 -75.17 0.64 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 111.366 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.3 m -59.61 -24.66 63.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 71.1 mm-40 73.09 4.91 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 84.9 m -66.41 142.38 57.61 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 110.89 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.54 ' HG2' HD22 ' A' ' 107' ' ' ASN . 33.1 mtmt -84.76 108.43 17.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -123.48 163.82 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.171 0.51 . . . . 0.0 111.397 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.7 p -86.52 169.52 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.714 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.795 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -94.45 -16.85 23.01 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 65.7 m -107.5 31.54 5.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.069 0.462 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -179.8 167.08 36.65 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.125 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 138' ' ' ARG . . . -115.07 153.82 17.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.835 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 69.0 ttt180 -88.67 133.05 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.2 t -131.34 71.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.065 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.4 p -93.81 122.42 36.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.6 mm? -93.52 168.04 11.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.635 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -92.68 40.66 1.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.6 m -144.27 28.33 1.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.702 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.6 m120 66.04 63.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -152.68 93.54 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.318 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.87 117.01 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.826 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mtm -137.83 142.98 40.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.085 0.469 . . . . 0.0 111.542 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.474 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 41.2 m95 -114.09 135.01 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 38.8 t -119.03 130.86 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.7 p -64.53 155.97 31.28 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.193 0.521 . . . . 0.0 111.324 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.9 m-20 -52.62 -21.37 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.08 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mt -82.9 -33.7 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 110.791 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.472 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 41.6 m -89.26 -36.1 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.41 ' HD3' ' HA3' ' A' ' 121' ' ' GLY . 56.1 ttp180 -62.72 -40.97 98.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.88 -48.64 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.75 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -75.62 -21.55 57.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 137' ' ' CYS . 61.5 tt0 -78.55 -18.14 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.379 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.411 ' OXT' ' HG3' ' A' ' 142' ' ' GLU . 11.9 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.883 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.895 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -94.7 -15.29 24.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.431 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 73.19 -63.12 0.45 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.686 0.279 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.88 112.9 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.649 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.91 -29.73 0.82 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.311 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -105.23 117.15 33.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.714 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -69.91 168.54 17.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.465 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.4 Cg_exo -81.55 130.06 6.77 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.167 2.578 . . . . 0.0 111.178 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.7 p -137.54 147.23 44.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.506 0.67 . . . . 0.0 112.725 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.894 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 41.3 t -69.08 138.4 54.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.947 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.61 19.44 28.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.201 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -126.4 -68.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -90.27 -11.0 42.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.498 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 48.26 28.71 1.67 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.72 0.295 . . . . 0.0 111.492 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -113.63 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -63.02 114.62 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.0 mtmm -94.22 124.64 38.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.455 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.0 m-85 -59.63 173.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.903 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -137.41 170.31 16.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.36 20.82 10.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.21 -62.46 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.806 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.7 m -143.92 159.44 42.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 111.074 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -98.76 -127.09 5.77 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.079 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -100.0 116.75 32.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.903 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.547 ' ND2' ' HG2' ' A' ' 114' ' ' LYS . 4.7 m-20 -104.25 131.79 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.7 t -55.16 125.88 22.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.489 ' OG ' HG22 ' A' ' 133' ' ' VAL . 81.1 p -63.31 -13.06 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.17 -81.93 0.51 Allowed 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.7 p -74.89 -0.24 17.89 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 13.2 mm100 64.5 14.38 8.86 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.9 m -64.13 131.37 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.703 0.287 . . . . 0.0 110.699 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.547 ' HG2' ' ND2' ' A' ' 107' ' ' ASN . 43.3 mtmt -83.11 109.64 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.512 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 7.2 p90 -127.26 163.93 22.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 111.785 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.3 p -86.36 171.76 10.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.711 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.47 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.404 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 14.6 ptp180 -95.58 -11.94 26.5 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.3 m -108.26 33.0 4.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.389 . . . . 0.0 111.304 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -166.09 -154.18 8.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.422 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 138' ' ' ARG . . . -150.32 151.45 23.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.819 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -89.53 130.23 35.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.711 0.291 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 42.4 t -136.1 98.66 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.386 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.0 t -94.14 128.86 40.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.859 0.361 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.44 HD21 ' CE ' ' A' ' 131' ' ' MET . 80.4 mt -94.06 -178.56 4.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -84.96 -18.33 34.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.397 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.3 m -91.79 25.4 2.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.277 . . . . 0.0 111.321 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 60.98 16.24 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.434 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -87.9 117.38 26.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.758 0.313 . . . . 0.0 110.791 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.1 t -94.31 122.96 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.296 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 125' ' ' LEU . 25.5 ptt? -137.38 150.3 47.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.608 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -124.07 145.72 49.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.34 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.489 HG22 ' OG ' ' A' ' 109' ' ' SER . 87.5 t -125.26 126.58 71.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.512 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 27.3 p -60.51 154.05 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.288 0.566 . . . . 0.0 111.402 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.8 m-20 -54.21 -18.27 3.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.247 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.83 -37.57 29.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 98.5 m -89.12 -35.03 16.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.302 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.401 ' HD3' ' HA3' ' A' ' 121' ' ' GLY . 56.7 ttp180 -62.1 -35.24 78.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -71.15 -32.42 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -110.79 26.61 10.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.22 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.894 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 61.57 172.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -140.06 39.7 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.759 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -166.89 152.65 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.75 40.13 1.04 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.46 115.28 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 111.009 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.06 162.36 72.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo -83.81 128.58 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.354 2.703 . . . . 0.0 111.363 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.0 p -136.4 152.3 50.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 112.971 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.7 t -77.41 135.16 38.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.413 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.98 9.24 57.63 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.343 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -115.3 -70.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.743 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -88.71 -14.95 36.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.665 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 57.8 t-80 53.67 22.12 2.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -107.41 -59.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.534 HG21 ' HB2' ' A' ' 116' ' ' CYS . 79.5 m -63.22 113.07 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 9.2 mtmp? -96.48 121.82 38.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.33 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.535 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.2 m-85 -57.69 -171.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.13 127.62 46.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.928 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 64.83 21.74 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.287 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 90' ' ' PRO . . . 60.31 51.6 57.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.877 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.2 m -146.4 49.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.612 0.244 . . . . 0.0 111.473 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.535 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -61.45 -164.21 0.27 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.745 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 77.9 m-70 -97.31 117.57 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -104.68 130.29 52.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.021 0.438 . . . . 0.0 111.364 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.898 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.6 t -54.71 123.64 13.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.0 t -58.95 -17.46 24.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.182 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -106.86 -74.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.835 0.35 . . . . 0.0 111.383 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.7 m -60.34 -24.83 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.481 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 63.4 mm-40 74.3 2.77 4.21 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.1 m -66.91 141.61 57.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.22 118.34 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.2 p90 -131.48 163.52 27.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.415 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.534 ' HB2' HG21 ' A' ' 98' ' ' THR . 26.7 p -86.68 171.84 10.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.16 -16.96 23.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.404 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -94.1 -19.66 20.61 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 57.9 m -104.7 23.9 12.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.367 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -178.48 -178.28 47.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.601 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -145.74 164.28 28.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.562 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -89.73 140.31 29.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.4 t -135.74 108.92 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.8 t -92.49 134.4 35.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.429 ' HG ' ' CE ' ' A' ' 131' ' ' MET . 40.3 mt -93.01 -24.04 18.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.988 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 127' ' ' SER . 15.8 ptm180 -152.94 -51.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.302 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 38.7 t 176.66 -70.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -72.68 -22.11 60.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.337 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.93 91.25 8.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.693 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 23.4 t -99.51 120.64 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.913 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.429 ' CE ' ' HG ' ' A' ' 125' ' ' LEU . 2.8 mpp? -135.2 139.2 44.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.272 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 33.0 m95 -99.27 151.65 20.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.461 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 45.4 t -134.61 123.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.747 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.4 p -58.93 155.56 13.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.234 0.54 . . . . 0.0 111.431 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -56.08 -17.39 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.043 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.9 mt -82.99 -32.88 26.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -89.15 -41.39 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.386 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -63.05 -33.15 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.689 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -85.23 -56.29 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -52.49 -28.49 20.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 29.7 tt0 -80.94 -6.58 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.579 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.898 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -177.47 -59.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 63.31 134.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -133.07 118.25 18.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.7 116.15 4.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.604 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -133.41 124.09 26.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.796 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.71 166.59 35.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.485 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.511 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 5.5 Cg_exo -79.44 158.83 25.8 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.353 2.702 . . . . 0.0 111.693 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 p -136.15 156.09 49.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.551 0.691 . . . . 0.0 112.754 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.891 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.7 t -79.21 123.2 27.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.375 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.431 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -73.37 0.98 45.43 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.505 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.527 ' N ' ' CD1' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -101.32 -72.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.892 0.346 . . . . 0.0 110.646 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.6 p -90.66 -14.29 32.59 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' CYS . 82.4 m-70 59.88 26.75 16.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.712 0.291 . . . . 0.0 111.309 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -113.76 -65.19 1.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.558 HG21 ' HB2' ' A' ' 116' ' ' CYS . 68.3 m -63.2 119.45 9.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -94.93 140.35 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.944 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.8 m-85 -70.92 172.16 9.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.33 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.631 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -171.54 47.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 176.55 -76.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.1 p -143.16 120.18 11.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.887 0.375 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -81.97 -133.22 1.65 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.541 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -95.43 126.85 41.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.719 0.295 . . . . 0.0 110.331 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -113.42 131.21 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 111.432 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.898 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.6 t -55.04 124.95 18.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.1 t -58.71 -18.53 32.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -107.45 -74.64 0.65 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.4 m -58.13 -25.67 61.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.619 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 70.8 mm-40 72.63 3.89 4.82 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.469 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.7 m -68.38 146.69 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 120.704 0.287 . . . . 0.0 111.088 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -86.06 111.73 20.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.524 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -125.01 163.15 22.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.081 0.467 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.558 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.9 p -87.07 168.47 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.998 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.26 -19.68 15.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.552 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -92.79 -13.48 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 94' ' ' ILE . 24.5 m -107.38 25.73 11.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.8 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.76 -167.2 32.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.32 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -147.32 156.36 26.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.656 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 62.2 ttp180 -88.51 131.0 35.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.763 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.449 HG12 HD21 ' A' ' 125' ' ' LEU . 47.2 t -134.87 90.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.383 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -93.26 113.95 26.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.623 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.5 mm? -93.46 -175.51 3.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.057 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.6 ptt180 -52.14 171.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.297 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 40.4 t 60.74 -79.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.326 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 126' ' ' ARG . 1.2 m-20 174.67 38.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.792 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -85.7 94.39 9.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.5 t -95.11 112.03 26.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.6 ptp -140.03 140.14 36.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.136 0.494 . . . . 0.0 110.997 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 23.9 m95 -103.2 142.38 34.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.214 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 137' ' ' CYS . 34.8 t -123.96 122.91 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.3 154.55 13.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.283 0.563 . . . . 0.0 111.33 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 4.6 m-20 -54.87 -19.25 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.868 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.68 -31.23 32.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.465 ' HB2' HG12 ' A' ' 133' ' ' VAL . 50.0 m -89.47 -35.33 16.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.75 -35.6 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -90.68 -30.73 16.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -75.45 -24.17 56.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.42 21.85 7.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.073 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.891 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.898 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.682 0.277 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -104.02 89.47 3.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.818 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -126.94 124.51 39.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.794 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -136.43 30.49 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.925 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.69 -135.89 4.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -134.22 120.68 20.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.84 160.06 83.34 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB2' ' CB ' ' A' ' 100' ' ' PHE . 4.3 Cg_endo -84.62 126.78 3.58 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.309 2.673 . . . . 0.0 111.3 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -135.39 145.09 46.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.893 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.7 t -66.85 130.66 43.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.789 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.529 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -75.77 1.16 59.43 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.455 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.1 mp -109.31 -73.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.739 0.27 . . . . 0.0 111.443 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.9 p -87.07 -12.55 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.762 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 36.8 t-80 51.23 27.71 3.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.725 0.298 . . . . 0.0 111.272 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -109.03 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.2 m -63.5 114.73 4.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.077 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 63.2 mttp -95.98 123.3 39.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.271 179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.4 m-85 -57.72 -175.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.69 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 90' ' ' PRO . . . -74.85 -172.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.199 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.94 -38.33 61.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.54 -103.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.9 m -143.15 143.79 31.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -80.67 -128.92 0.84 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.455 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 94.8 m-70 -99.92 125.56 45.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -113.94 129.17 56.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.904 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 36.8 t -54.08 126.15 21.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.236 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 t -63.98 -12.19 35.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.478 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.9 m-85 -103.6 -78.34 0.55 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.33 5.38 14.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 2.5 mp0 58.52 16.13 4.03 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.2 m -64.38 129.43 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 110.838 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -82.5 109.32 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.233 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 5.5 p90 -127.83 164.62 21.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.263 0.554 . . . . 0.0 111.737 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.27 166.54 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.496 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -17.4 15.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.953 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 11.0 mtp-105 -95.15 -12.46 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.8 m -112.39 29.88 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -163.68 -170.16 28.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.99 150.02 19.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.802 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -88.41 124.0 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 110.798 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.4 t -137.08 94.62 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.288 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.8 m -93.43 147.96 22.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.62 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.577 ' N ' HD12 ' A' ' 125' ' ' LEU . 5.2 mp -92.62 43.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 51.61 35.36 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 128' ' ' ASN . 47.4 t -162.35 -165.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.428 ' N ' ' OG ' ' A' ' 127' ' ' SER . 16.1 m120 -71.82 -9.57 58.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.44 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.24 99.34 10.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.1 t -96.51 137.23 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.516 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 43.8 mtt -134.23 144.36 48.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.683 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.455 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 46.3 m95 -123.88 141.32 52.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.0 t -130.27 126.03 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.61 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 32.0 p -58.2 151.13 19.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.531 . . . . 0.0 111.369 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -54.22 -17.71 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.476 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.28 -36.59 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 51.2 m -85.57 -38.04 18.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.09 -38.72 92.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.655 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -65.0 -55.12 20.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.82 -23.19 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -95.8 -4.81 43.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.658 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.893 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.904 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 11.2 pt20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 20.7 mm-40 -77.31 75.74 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -101.87 98.44 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -154.19 99.69 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.736 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.99 -115.07 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.706 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.47 134.6 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 111.135 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -70.79 167.32 28.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.05 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo -84.2 130.76 4.81 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.245 2.63 . . . . 0.0 111.354 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -135.37 149.22 49.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.552 0.691 . . . . 0.0 112.641 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 50.0 t -70.67 135.9 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.471 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.89 9.02 55.03 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.398 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.2 mp -117.83 -72.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.2 p -88.08 -6.78 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.885 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 28.5 p80 44.98 27.61 0.3 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -110.61 -56.81 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.5 HG21 ' HB2' ' A' ' 116' ' ' CYS . 86.6 m -63.11 113.53 3.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.026 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 23.6 mtpp -94.1 119.03 32.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.0 m-85 -57.6 179.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 90' ' ' PRO . . . -69.91 -169.66 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.275 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -54.61 -39.85 68.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.79 -97.76 0.67 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.748 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.5 p -143.27 149.92 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -84.33 -135.01 2.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.909 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.551 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 88.4 m-70 -97.7 124.6 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 110.596 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -113.93 134.08 55.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 27.4 t -55.23 122.73 11.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.1 t -58.94 -17.54 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.139 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.25 -74.98 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.579 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.4 m -59.33 -24.89 63.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.59 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 75.44 2.48 3.83 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.4 m -65.71 141.99 58.17 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.9 112.73 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -128.44 162.96 25.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.279 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.5 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.7 p -86.95 170.87 11.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.75 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.19 -15.34 23.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.702 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -93.52 -17.65 23.15 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.403 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 88.4 m -109.22 35.69 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.84 -153.52 10.86 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.213 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.66 152.63 23.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.042 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -86.26 144.43 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.662 0.268 . . . . 0.0 110.781 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.429 ' HB ' ' HG3' ' A' ' 131' ' ' MET . 42.8 t -134.76 114.14 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.8 t -94.03 114.71 26.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.479 HD11 ' CE ' ' A' ' 131' ' ' MET . 60.5 mt -92.55 -71.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 128' ' ' ASN . 75.8 mtm180 -142.59 75.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.3 p 54.64 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.874 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 126' ' ' ARG . 3.3 p-10 -83.16 50.78 1.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -156.06 90.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.585 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 t -110.42 130.92 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.087 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.479 ' CE ' HD11 ' A' ' 125' ' ' LEU . 12.4 ptp -141.52 139.5 33.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.394 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.551 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 40.8 m95 -105.83 149.66 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.84 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 40.0 t -132.76 123.58 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.616 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 18.7 p -60.77 155.62 18.93 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.226 0.536 . . . . 0.0 111.797 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 93.8 m-20 -55.38 -18.64 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.019 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.93 -32.35 34.66 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 110.145 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.474 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 56.0 m -88.9 -36.86 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.06 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.01 -30.11 71.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.636 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -88.63 -51.3 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.18 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -96.16 21.12 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.082 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -148.6 135.72 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -89.89 143.81 26.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.999 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -156.06 121.52 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.38 18.73 8.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.695 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -135.14 112.86 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -72.68 169.59 16.64 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.1 Cg_exo -82.0 125.24 4.66 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 123.118 2.545 . . . . 0.0 110.464 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 p -133.41 146.87 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.895 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 45.4 t -69.06 138.39 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.513 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.1 14.29 44.98 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.481 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.6 mp -121.8 -69.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.4 p -89.33 -8.36 53.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.649 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 16.4 p80 44.84 27.56 0.28 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.663 0.268 . . . . 0.0 111.662 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -113.09 -58.14 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 116' ' ' CYS . 77.4 m -63.27 115.0 4.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.994 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 51.9 mttp -93.32 126.31 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.342 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 10.3 m-85 -54.75 169.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.811 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.11 -67.91 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.78 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 178.73 37.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 164.53 77.39 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 53.6 t 62.2 119.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.839 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -92.55 -121.7 2.97 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.633 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -95.76 124.58 39.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.782 0.325 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -113.43 134.12 54.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.907 ' HG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.7 t -56.76 123.51 15.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.754 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 132' ' ' TRP . 46.6 t -59.53 -16.97 28.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.955 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -105.18 -75.3 0.63 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.884 0.374 . . . . 0.0 111.458 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 4.8 m -61.81 -23.97 66.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.718 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 10.0 mm100 74.12 3.81 4.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.345 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 88.9 m -66.44 146.49 54.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.871 0.367 . . . . 0.0 111.202 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -86.73 113.34 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.491 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.4 p90 -126.96 163.08 24.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.221 0.534 . . . . 0.0 111.462 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.567 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.4 p -87.37 171.59 10.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.681 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.71 -18.61 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -96.33 -14.49 22.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 57.9 m -109.16 33.57 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.13 -157.77 14.76 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.373 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -157.4 160.3 30.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.641 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -88.44 130.89 35.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.731 0.301 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.9 t -128.04 92.68 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.441 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.3 m -94.16 132.03 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.89 -46.62 7.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -139.15 -71.55 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.9 m -164.62 -44.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -100.69 34.58 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.287 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -151.59 90.79 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.951 0.405 . . . . 0.0 111.14 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.6 t -101.87 129.37 53.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.249 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 41.4 mtt -134.46 139.11 45.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.164 0.507 . . . . 0.0 110.858 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 56.8 m95 -107.57 139.64 41.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.158 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 92.4 t -130.2 127.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.421 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 25.0 p -58.15 153.8 14.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.294 0.568 . . . . 0.0 111.741 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -54.78 -18.95 5.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.985 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.65 -33.59 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.179 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 23.3 m -89.25 -36.22 15.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.207 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -62.43 -34.82 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.697 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -87.0 -48.63 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -54.04 -23.97 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -106.25 0.5 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.716 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.895 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.907 'ZN ' ' HG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.62 126.88 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -125.58 138.85 53.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -106.69 58.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.75 57.91 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.433 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -132.04 116.17 16.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.758 0.313 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.6 163.15 66.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 6.3 Cg_endo -85.13 132.29 4.48 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.143 2.562 . . . . 0.0 111.087 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 p -137.09 148.17 46.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.888 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 44.9 t -69.57 138.14 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.185 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 114' ' ' LYS . . . -86.55 15.27 52.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.558 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.8 mp -124.3 -56.79 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.939 0.399 . . . . 0.0 110.74 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.67 -26.28 24.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 60.61 22.9 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.513 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -130.63 -46.35 1.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.702 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.9 m -63.14 111.55 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 17.8 mtpp -93.98 128.33 40.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.854 0.359 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 -62.04 79.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 99' ' ' LYS . . . 49.34 -89.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.689 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' PHE . 6.9 m-20 -159.18 32.35 0.2 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.698 0.285 . . . . 0.0 111.033 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.34 -85.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.798 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 69.7 m -141.7 141.81 33.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.956 0.408 . . . . 0.0 110.933 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -104.36 -132.35 7.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.592 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.8 127.15 42.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.704 0.288 . . . . 0.0 110.322 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -112.17 127.73 56.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.7 t -54.77 124.22 15.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 47.4 t -63.76 -12.23 33.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.639 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.474 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 97.0 m-85 -102.75 -79.23 0.53 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.9 p -79.98 5.03 15.09 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 2.6 mp0 59.88 14.72 4.41 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.3 m -65.73 133.38 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 93.6 mttt -84.13 114.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.111 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 11.5 p90 -131.17 163.5 27.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.116 0.484 . . . . 0.0 111.35 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.6 p -86.27 167.64 14.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.687 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.42 -17.45 8.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.122 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -93.66 -14.67 26.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 94.4 m -110.21 38.6 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 111.254 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 177.71 166.86 34.99 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.4 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -119.3 159.01 14.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -88.41 140.61 29.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.67 85.67 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.0 p -92.25 111.42 22.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.3 mt -95.08 34.14 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.774 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 60.15 155.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.794 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.1 m 63.97 -173.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.646 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -67.25 69.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -150.44 95.42 2.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.7 t -125.0 121.41 60.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.382 . . . . 0.0 111.387 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.404 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 18.6 ptp -141.36 142.11 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.776 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -108.92 149.71 28.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.564 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.2 125.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.7 p -60.91 155.56 19.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.604 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.78 -15.58 8.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.218 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.29 -35.51 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 110.671 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 92.0 m -89.36 -34.06 16.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -63.71 -38.5 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.022 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.01 -55.04 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -55.01 -22.64 16.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.285 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 141' ' ' GLN . 36.0 tt0 -104.94 -0.27 27.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.741 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.973 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.888 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -99.64 67.96 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 57.83 76.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -69.26 101.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 145.76 55.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.98 119.62 39.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -70.18 173.25 4.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.753 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.53 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 5.8 Cg_exo -81.18 129.69 6.91 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 123.134 2.556 . . . . 0.0 111.227 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.6 p -134.83 149.74 50.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 0.0 112.703 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 51.9 t -73.16 136.44 44.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.594 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.15 12.32 50.7 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.344 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -119.56 -69.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -88.78 -11.05 46.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.763 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.3 m80 49.78 24.67 1.31 Allowed 'General case' 0 N--CA 1.46 0.062 0 CA-C-O 120.756 0.312 . . . . 0.0 111.465 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -112.24 -59.02 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 116' ' ' CYS . 88.8 m -63.12 109.47 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.6 mtpt -93.14 122.91 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 -55.52 163.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.684 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.13 -177.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.852 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.98 85.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.59 -106.47 0.32 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.657 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.9 p -143.45 127.63 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.077 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -73.41 -133.57 0.22 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.649 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.407 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 80.5 m-70 -97.11 125.88 41.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -112.9 128.82 56.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.151 0.501 . . . . 0.0 111.018 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 35.6 t -55.31 124.99 18.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.6 t -64.19 -11.64 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.778 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.52 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.7 m-85 -105.64 -79.21 0.56 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.4 p -77.67 2.27 17.26 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 2.6 mp0 62.9 12.83 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.5 m -65.01 133.62 52.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 111.053 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 88.6 mttt -83.27 114.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.147 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CE2' ' N ' ' A' ' 134' ' ' CYS . 8.9 p90 -131.72 163.62 27.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.196 0.522 . . . . 0.0 111.771 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.3 p -86.84 168.18 13.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.472 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.31 -16.97 16.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.802 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -93.49 -16.98 23.93 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.9 m -108.04 37.6 2.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.039 0.447 . . . . 0.0 110.877 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.6 -156.83 16.34 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.292 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.26 155.89 26.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.601 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -87.26 127.46 35.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 110.654 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.9 t -131.78 100.19 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.1 t -92.72 139.66 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.49 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.412 HD11 ' CE ' ' A' ' 131' ' ' MET . 66.7 mt -92.93 17.59 10.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.377 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 48.79 25.86 1.13 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.716 0.293 . . . . 0.0 111.026 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.2 t -132.17 36.45 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.034 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.5 m120 60.09 47.06 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -153.18 125.25 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.9 t -108.77 135.64 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.677 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.412 ' CE ' HD11 ' A' ' 125' ' ' LEU . 18.1 ptp -141.66 139.0 32.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.555 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' SER . 45.0 m95 -109.83 140.25 43.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.347 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 64.3 t -129.67 128.91 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.822 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.501 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 31.6 p -58.87 153.18 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 0.0 111.14 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -57.15 -16.07 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.057 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.4 mt -82.0 -35.3 29.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.685 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.441 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 57.7 m -89.41 -36.82 15.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -62.99 -37.68 88.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -88.39 -50.6 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 28.8 tt0 -53.01 -28.83 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.01 16.27 25.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.385 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.676 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.832 0.348 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -96.43 150.42 20.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -154.58 -54.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.197 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -87.8 -42.37 12.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.146 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.02 -177.83 47.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.672 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -89.73 135.25 33.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.43 165.46 44.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.499 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo -83.95 141.83 9.67 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.22 2.613 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.6 p -139.42 152.42 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 38.3 t -74.28 134.55 42.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.401 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.34 8.57 60.88 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.622 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.1 mp -117.01 -56.03 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.9 m -84.91 -25.27 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 54.1 t-80 61.65 18.6 9.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.11 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -132.67 -43.71 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 0.0 110.788 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.515 HG21 ' CB ' ' A' ' 116' ' ' CYS . 74.6 m -62.6 108.44 1.14 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.8 mttp -94.27 132.98 38.29 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 5.2 m-85 -71.75 60.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.196 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.83 -158.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.59 0.233 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.83 49.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 0.0 110.903 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 90' ' ' PRO . . . -161.6 -113.22 0.3 Allowed Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.72 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.0 p -143.49 139.59 29.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -93.04 -136.76 7.9 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.039 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.463 ' CB ' ' CE1' ' A' ' 115' ' ' PHE . 93.0 m-70 -99.78 132.35 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 110.793 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -116.79 126.6 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.097 0.475 . . . . 0.0 110.703 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.3 t -54.44 125.98 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.736 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 132' ' ' TRP . 31.2 t -63.73 -12.99 39.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.672 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 141' ' ' GLN . 93.0 m-85 -104.57 -84.11 0.49 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.91 -4.57 25.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 72.6 mm-40 67.19 10.1 7.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 m -65.02 133.94 52.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.291 . . . . 0.0 110.926 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 90.7 mttt -83.18 117.97 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 6.2 p90 -128.24 163.39 24.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.526 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.515 ' CB ' HG21 ' A' ' 98' ' ' THR . 31.6 p -86.97 171.98 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.71 -19.47 16.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.602 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -94.69 -16.13 23.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 65.1 m -107.93 29.03 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.488 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.84 163.22 30.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.787 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -126.08 165.32 19.31 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.378 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 68.8 ttp85 -88.91 133.21 34.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.0 t -129.72 92.63 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 87.4 p -91.5 113.71 26.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.793 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.458 HD11 ' CE ' ' A' ' 131' ' ' MET . 90.5 mt -93.33 124.33 37.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.422 ' O ' ' ND2' ' A' ' 128' ' ' ASN . 25.1 tpt180 69.66 14.59 8.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.492 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m 65.3 15.93 10.27 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 126' ' ' ARG . 48.0 m-80 -133.44 -43.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.97 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 129' ' ' LYS . 12.2 mptt -86.3 96.67 10.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.26 122.12 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.421 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.458 ' CE ' HD11 ' A' ' 125' ' ' LEU . 25.6 ptt? -141.05 142.05 34.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.851 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.432 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 35.5 m95 -102.84 137.79 40.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.318 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.5 t -131.78 134.0 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.717 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.1 p -59.85 151.92 24.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.145 0.498 . . . . 0.0 111.017 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -54.93 -18.55 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.131 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -81.48 -37.62 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 58.4 m -88.51 -34.77 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.071 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -63.37 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -84.49 -40.45 17.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -34.75 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.911 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 110' ' ' TYR . 1.3 mp0 -95.33 11.06 33.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.44 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.933 179.847 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 39.8 tt0 -150.73 123.29 8.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 17.2 pt20 45.86 -168.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.37 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -92.97 169.31 10.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.39 -168.25 0.21 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.639 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -110.17 145.8 36.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.59 163.59 62.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.456 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 3.4 Cg_endo -84.56 136.36 6.34 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.205 2.603 . . . . 0.0 111.232 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.0 p -139.32 146.39 40.25 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.4 t -64.54 133.69 52.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.67 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.09 3.62 61.04 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.93 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.2 mp -114.92 -55.88 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.02 -23.98 28.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 57.05 22.03 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -129.77 -48.44 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.401 . . . . 0.0 110.751 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.8 m -62.8 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.353 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.1 mtmm -94.22 130.01 40.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.949 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 13.1 m-85 -63.86 163.72 11.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.853 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 103' ' ' GLY . . . -97.95 162.66 13.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.44 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 t70 64.69 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.416 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 101' ' ' ALA . . . -163.62 -41.92 0.02 OUTLIER Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.011 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.1 p -138.65 126.13 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -80.33 -126.33 0.64 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.578 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -98.83 124.9 44.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.937 0.398 . . . . 0.0 110.483 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -113.3 129.38 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.83 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.904 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 25.4 t -54.77 124.0 15.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.53 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' HG22 ' A' ' 133' ' ' VAL . 96.2 p -63.33 -13.44 39.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.406 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 97.3 m-85 -103.1 -82.2 0.49 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.9 p -77.58 3.63 13.25 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 27.1 mp0 62.5 12.48 5.44 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.7 m -64.31 127.57 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 0.0 110.765 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -81.5 112.09 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.494 . . . . 0.0 110.24 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 9.2 p90 -124.84 163.67 21.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.618 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.2 p -86.7 170.94 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.368 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.41 -19.11 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.841 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.43 -15.99 22.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 71.6 m -107.98 34.08 3.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.952 0.406 . . . . 0.0 111.489 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.464 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -177.14 177.95 48.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.23 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.92 155.23 23.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.87 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.501 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 56.8 ttp180 -89.18 130.78 35.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 48.0 t -130.55 125.9 59.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.24 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.0 m -97.8 148.13 23.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -142.55 42.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 49.71 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.8 t 56.61 24.83 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 60.02 25.71 14.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -86.55 93.05 9.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.8 t -98.56 119.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.197 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' ' 109' ' ' SER . 44.7 mtp -140.39 153.99 46.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.999 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.501 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 18.8 m95 -115.21 143.74 44.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 85.5 t -125.38 129.14 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.68 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.4 p -63.2 153.98 32.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.268 0.556 . . . . 0.0 111.287 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.9 m-20 -54.38 -18.49 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.357 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.74 -38.39 28.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.039 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 90.0 m -85.81 -33.9 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.988 0.423 . . . . 0.0 110.172 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.07 -32.14 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.882 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -90.75 -46.31 8.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -67.85 -32.76 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -147.32 57.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.904 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.857 0.36 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.73 -60.78 2.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 61.74 123.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 55.75 69.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.88 80.91 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -58.24 125.78 24.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.994 0.426 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -70.49 173.37 4.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.836 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.53 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 2.0 Cg_endo -83.34 128.81 4.94 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.147 2.565 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -138.39 147.63 43.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.492 0.663 . . . . 0.0 112.784 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.895 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 43.5 t -68.65 135.49 51.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.632 178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.84 19.65 24.11 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.587 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.6 mp -123.56 -67.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.5 p -88.71 -19.36 26.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 56.13 37.84 29.25 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.053 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -126.28 -54.52 1.47 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.321 . . . . 0.0 111.118 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.2 m -63.61 118.76 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -97.08 123.88 40.95 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 12.3 m-85 -58.5 177.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.55 -82.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.759 0.314 . . . . 0.0 111.521 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -159.83 27.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.87 -79.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.571 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 26.8 p -144.02 116.33 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -77.26 -121.27 0.2 Allowed Glycine 0 C--N 1.329 0.146 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.571 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -96.28 120.84 37.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.497 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 113' ' ' THR . 6.4 m-20 -113.57 133.68 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.9 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.4 t -55.02 125.64 21.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.563 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.1 t -58.74 -17.5 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -108.05 -72.44 0.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.88 0.371 . . . . 0.0 111.365 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.2 m -60.54 -24.43 65.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.518 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 82.3 mm-40 68.99 7.69 6.39 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.27 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 107' ' ' ASN . 62.7 m -67.13 143.96 56.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -85.0 110.29 18.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.734 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -126.97 163.48 23.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.241 0.544 . . . . 0.0 111.673 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.8 p -87.16 171.79 10.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.604 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.48 -13.12 26.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.972 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -95.53 -14.83 23.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.65 29.7 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 111.31 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.5 -177.27 41.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.326 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -139.55 153.57 23.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -87.9 128.34 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.52 124.11 61.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.9 t -91.05 132.7 35.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.438 HD11 ' SD ' ' A' ' 131' ' ' MET . 81.0 mt -93.64 -57.72 2.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.045 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -119.66 -65.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.7 m -159.96 -58.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.44 -13.02 18.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.63 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 129' ' ' LYS . 2.1 mptp? -83.21 92.03 7.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.003 0.43 . . . . 0.0 110.794 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.7 t -96.71 133.55 37.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.738 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.438 ' SD ' HD11 ' A' ' 125' ' ' LEU . 44.9 mtp -135.19 138.31 43.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.026 179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 29.3 m95 -101.51 136.95 40.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.957 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.6 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.655 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.6 p -58.13 152.5 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -54.01 -20.34 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.889 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.1 mt -80.2 -32.96 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.031 0.443 . . . . 0.0 110.068 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.48 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 19.2 m -89.65 -28.42 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.138 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.66 -41.04 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -91.25 -44.55 9.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 53.6 tt0 -61.54 -33.39 73.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -117.35 16.67 14.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.465 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.213 179.853 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.895 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.9 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.707 0.289 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -67.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.966 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 63.94 110.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.754 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -100.06 -68.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.048 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.55 -144.25 3.9 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.608 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -132.62 124.35 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.497 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -69.49 171.25 7.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.497 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 1.2 Cg_endo -83.18 137.82 8.57 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 123.158 2.572 . . . . 0.0 111.387 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -137.54 148.58 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 47.6 t -71.51 138.0 48.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.618 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.92 59.99 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.494 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.3 mp -121.38 -55.83 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.835 0.35 . . . . 0.0 110.755 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.74 -24.32 25.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 57.13 22.24 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -131.59 -49.22 0.97 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.4 m -62.83 108.05 1.11 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.259 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 33.6 mtmm -93.21 130.41 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.04 0.448 . . . . 0.0 110.586 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.2 m-85 -64.65 172.19 2.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.306 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.81 172.75 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.811 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 60.34 19.3 8.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.218 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.96 -57.08 0.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.691 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.9 t -143.67 154.43 43.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 111.189 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -95.76 -131.4 6.63 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.077 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -98.93 130.9 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.633 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -117.42 129.46 55.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.129 0.49 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 38.1 t -55.14 125.94 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.271 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' TRP . 23.8 t -62.94 -13.49 35.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.626 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.84 -84.0 0.48 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -71.69 -3.24 20.69 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 12.6 mm100 66.03 12.83 8.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 31.7 m -64.64 133.72 52.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.0 mttp -83.16 115.01 21.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 5.5 p90 -128.83 163.22 25.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.1 p -87.41 172.04 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.926 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.45 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.402 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 16.5 ptm180 -95.27 -11.76 27.37 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 55.2 m -104.71 31.83 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.267 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.493 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -169.66 -167.22 29.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.536 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -150.61 142.0 9.21 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.687 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.49 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 10.4 ptp85 -88.32 135.73 33.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.801 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 43.9 t -136.34 124.68 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.941 0.4 . . . . 0.0 111.484 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.6 m -107.34 114.71 28.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.715 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 125' ' ' LEU . 5.1 mp -94.33 -86.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.023 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 125' ' ' LEU . 89.4 mtm180 -159.71 167.89 27.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.6 m 55.69 30.64 15.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.618 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.24 33.16 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -85.54 89.1 7.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.972 0.415 . . . . 0.0 110.965 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.6 t -99.27 119.47 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.07 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -135.54 143.34 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.252 0.549 . . . . 0.0 110.849 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.49 ' CZ2' ' HB3' ' A' ' 122' ' ' ARG . 37.9 m95 -106.08 137.46 43.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.305 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.86 131.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.67 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.4 p -59.01 150.08 25.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.024 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -54.22 -17.36 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.42 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 mt -82.31 -40.15 21.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.71 -37.92 22.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 0.0 110.298 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -64.24 -34.58 78.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.28 -55.27 3.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -50.8 -31.67 17.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.257 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -124.64 34.86 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.075 0.464 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.405 ' HG3' ' OXT' ' A' ' 142' ' ' GLU . 9.0 pt-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.021 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -142.8 105.59 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -169.2 67.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -113.91 -27.86 7.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.7 32.01 0.75 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.451 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -122.62 133.98 54.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.949 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.56 164.51 54.05 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.6 Cg_endo -83.52 127.73 4.49 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.225 2.616 . . . . 0.0 111.504 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 p -133.13 147.76 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.369 0.604 . . . . 0.0 112.468 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 43.6 t -70.61 130.26 41.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.463 179.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.515 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -74.74 -0.36 59.06 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.341 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.685 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -108.31 -72.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.73 0.265 . . . . 0.0 111.439 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -87.5 -10.44 51.74 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.5 m80 49.87 24.98 1.43 Allowed 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.675 0.274 . . . . 0.0 111.496 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -108.07 -63.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 116' ' ' CYS . 81.8 m -63.31 117.15 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.034 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 60.3 mttp -94.8 123.38 38.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.252 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.4 m-85 -55.89 173.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLY . . . -122.35 165.67 15.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.285 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 67.97 -63.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.998 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 101' ' ' ALA . . . -168.72 -42.78 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.756 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.3 p -143.67 132.54 22.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.761 0.315 . . . . 0.0 110.796 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -79.84 -132.59 0.99 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.848 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.422 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 77.0 m-70 -95.73 120.85 36.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.947 0.403 . . . . 0.0 110.43 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -110.47 132.28 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.973 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 20.9 t -55.68 122.37 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.251 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 34.3 t -58.02 -18.88 27.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -104.62 -74.81 0.64 Allowed 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.381 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 5.8 m -59.9 -25.26 64.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.686 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 73.9 mm-40 73.34 4.05 4.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 57.7 m -67.72 145.52 54.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.855 0.36 . . . . 0.0 111.143 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.494 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 45.3 mtmt -86.14 114.64 23.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.495 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.9 p90 -128.96 163.0 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.196 0.522 . . . . 0.0 111.274 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.2 p -88.1 171.67 10.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.571 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.43 26.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.529 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 118' ' ' ARG . 13.6 mmp_? -92.58 -20.84 20.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.327 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 68.7 m -105.24 25.08 11.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.96 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -171.04 176.89 44.26 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.492 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -134.71 157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.483 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 4.3 ptm85 -87.25 136.04 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 110.732 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.447 HG12 HD21 ' A' ' 125' ' ' LEU . 59.7 t -134.6 84.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.23 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -93.21 117.32 29.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.59 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.6 mm? -93.25 164.97 13.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -77.55 0.86 21.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.729 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.9 p -96.68 23.92 6.51 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.756 0.312 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 55.21 58.61 4.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -150.21 106.31 3.46 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.53 120.25 43.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.412 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 22.0 ptt? -142.48 139.95 31.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.164 0.507 . . . . 0.0 111.127 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.483 ' CZ2' ' HB3' ' A' ' 122' ' ' ARG . 18.7 m95 -101.47 142.7 32.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.545 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.479 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.8 t -128.18 128.26 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.354 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.2 p -57.87 152.7 15.45 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.152 0.501 . . . . 0.0 111.72 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -55.53 -18.95 8.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.746 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 136' ' ' LEU . 4.5 mt -80.95 -31.54 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.045 0.45 . . . . 0.0 109.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.479 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 15.6 m -89.59 -31.01 17.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 178.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.18 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -88.85 -45.3 9.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.548 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -79.06 -37.15 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -112.24 25.45 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.491 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.165 -0.922 . . . . 0.0 111.066 179.676 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 308' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.454 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo . . . . . 0 N--CA 1.458 -0.585 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -134.9 149.66 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.511 0.672 . . . . 0.0 112.711 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 52.6 t -73.13 136.04 44.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.355 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.62 13.31 48.06 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.311 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.5 mp -119.41 -69.26 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.1 p -88.95 -14.11 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.5 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 33.4 t-80 52.97 23.49 2.91 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -111.18 -58.16 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.909 0.385 . . . . 0.0 110.622 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 116' ' ' CYS . 68.8 m -63.22 112.19 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.5 mtmt -94.17 124.32 38.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.216 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 120.872 0.151 . . . . 0.0 112.797 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.42 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 66.5 m-70 -96.68 121.38 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.709 0.29 . . . . 0.0 110.638 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -110.03 129.9 55.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 29.9 t -54.7 122.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.5 t -59.41 -17.31 29.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.94 -77.69 0.58 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.356 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.8 m -58.46 -24.73 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.688 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 63.2 mm-40 74.97 2.83 4.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.8 m -67.68 145.19 55.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 111.302 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.3 mttp -86.6 116.39 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.455 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.8 p90 -130.53 163.26 27.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 111.309 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.429 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.8 p -86.88 171.79 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.735 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.12 -15.87 27.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.977 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -94.42 -17.94 22.02 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 93.2 m -106.84 29.21 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -173.22 -172.07 38.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.593 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.92 158.01 27.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.437 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.904 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 54.2 mtt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.42 ' CE2' ' ND1' ' A' ' 106' ' ' HIS . 39.9 m95 -114.57 131.48 56.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 65.5 t -118.68 125.22 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.755 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.2 p -58.42 155.02 12.63 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.165 0.507 . . . . 0.0 111.577 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -55.9 -18.56 9.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.814 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.99 -31.17 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 22.4 m -89.65 -45.08 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.439 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.02 -29.2 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -88.77 -51.75 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.0 -33.17 75.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.42 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -89.31 9.71 25.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.506 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.908 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.8 Cg_endo . . . . . 0 N--CA 1.456 -0.703 0 N-CA-C 111.702 -0.153 . . . . 0.0 111.702 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 p -137.24 147.13 45.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.05 136.66 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.679 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.57 16.6 34.66 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.3 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.6 mp -124.45 -70.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 110.587 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.7 p -90.13 -8.2 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.842 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 13.4 p80 45.39 29.55 0.59 Allowed 'General case' 0 C--O 1.231 0.097 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -111.17 -61.12 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.746 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.475 HG21 ' HB2' ' A' ' 116' ' ' CYS . 86.4 m -63.37 116.69 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.26 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -95.12 124.75 39.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.491 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.522 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.158 0 CA-C-O 120.713 0.063 . . . . 0.0 113.25 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.589 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 14.0 m80 -98.22 117.75 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -109.55 137.66 47.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.891 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.4 t -55.33 126.26 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.2 t -58.39 -18.26 26.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.274 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 81.7 m-85 -111.11 -73.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.275 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 11.9 m -56.17 -24.42 41.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.36 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 29.1 mm-40 69.42 5.66 5.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.705 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.9 m -67.26 143.44 56.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 94.2 mttt -85.27 113.75 21.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.969 0.414 . . . . 0.0 110.702 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.477 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.7 p90 -130.62 163.43 27.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.564 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.475 ' HB2' HG21 ' A' ' 98' ' ' THR . 30.9 p -87.35 172.07 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.987 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.9 34.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -92.12 -18.18 23.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.503 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 94.6 m -110.12 35.55 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 174.83 163.19 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.611 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -118.48 148.32 18.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.439 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 57.2 ttp180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.2 ptm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.589 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 41.0 m95 -118.2 133.52 55.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.489 HG13 ' HB2' ' A' ' 137' ' ' CYS . 53.0 t -114.07 121.6 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.0 p -63.07 156.91 23.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.087 0.47 . . . . 0.0 110.921 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -54.36 -19.32 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.17 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.24 -36.53 27.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 110.697 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.489 ' HB2' HG13 ' A' ' 133' ' ' VAL . 86.2 m -89.1 -34.63 16.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.32 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' HG12 ' A' ' 133' ' ' VAL . 60.2 ttp180 -62.95 -39.27 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.015 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -77.91 -45.12 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.76 -28.0 68.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.98 -9.96 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.407 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.813 179.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.3 Cg_endo . . . . . 0 N--CA 1.458 -0.607 0 N-CA-C 111.594 -0.194 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 p -135.88 148.02 48.44 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 53.6 t -68.79 137.23 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.89 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.63 12.74 50.93 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.332 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -120.72 -70.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.615 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.7 p -89.41 -9.25 50.94 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.611 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 21.7 p80 45.24 33.2 1.12 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.596 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -117.33 -58.18 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.786 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.524 HG21 ' HB2' ' A' ' 116' ' ' CYS . 83.0 m -63.17 121.18 13.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 19.1 mtpp -92.47 123.03 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.053 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.503 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 12.9 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.164 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.503 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.165 0 N-CA-C 112.222 -0.351 . . . . 0.0 112.222 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -99.09 117.46 33.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.274 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -107.98 134.47 50.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.4 t -55.8 121.95 10.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.4 t -58.77 -17.87 26.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -104.46 -76.54 0.6 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.75 0.309 . . . . 0.0 111.449 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -59.12 -24.51 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 75.62 1.77 3.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.145 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.6 m -66.12 144.27 56.78 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.872 0.368 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 45.7 mtmt -86.42 114.05 22.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -128.74 163.67 24.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.524 ' HB2' HG21 ' A' ' 98' ' ' THR . 32.0 p -86.7 171.38 11.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.652 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.74 -14.78 35.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.741 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -94.59 -17.99 21.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 66.0 m -106.91 34.73 3.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.059 0.457 . . . . 0.0 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.17 179.27 47.35 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -131.92 161.73 23.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.692 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.43 ' HG2' ' CZ2' ' A' ' 132' ' ' TRP . 98.7 mtt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 110.778 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtt . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.967 0.413 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 44.2 m95 -108.48 144.34 36.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.397 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.0 t -130.25 124.02 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.58 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.2 p -58.0 154.37 12.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.324 0.583 . . . . 0.0 111.776 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -56.13 -17.24 6.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.119 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.66 -34.23 30.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.197 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -86.65 -30.21 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.109 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.204 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -86.74 -48.37 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.27 -24.12 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -109.72 13.84 23.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.498 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.949 179.701 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.9 Cg_endo . . . . . 0 N--CA 1.457 -0.654 0 N-CA-C 111.327 -0.297 . . . . 0.0 111.327 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 7.0 p -137.57 148.34 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.49 135.89 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.776 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.35 10.63 58.35 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.284 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.1 mp -117.52 -67.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.716 0.293 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -90.81 -12.54 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.862 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 m80 50.51 24.37 1.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.726 0.298 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -110.19 -61.96 1.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.0 m -63.1 114.62 3.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.935 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.4 mtpt -92.6 123.24 35.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 5.4 m-85 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.567 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.23 0 CA-C-O 121.001 0.223 . . . . 0.0 112.988 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 60.4 m-70 -99.68 115.43 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 110.114 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -103.86 136.5 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.169 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.7 t -54.2 125.78 20.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t -59.1 -17.42 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.423 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -111.34 -72.15 0.73 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.655 0.264 . . . . 0.0 111.386 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 14.6 m -57.23 -25.29 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 79.4 mm-40 71.03 4.64 5.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.648 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.9 m -67.07 141.97 57.3 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.636 0.255 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -84.49 115.46 22.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -132.0 163.7 27.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.182 0.515 . . . . 0.0 111.707 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.7 170.43 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.73 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.16 -15.64 25.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.612 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -92.4 -18.71 22.91 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.415 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 71.3 m -107.1 29.62 6.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.023 0.44 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 176.79 171.83 40.81 Favored Glycine 0 CA--C 1.517 0.177 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.266 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.84 153.46 17.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.822 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.504 ' HB3' ' CH2' ' A' ' 132' ' ' TRP . 37.9 ptt180 . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.709 0.29 . . . . 0.0 110.732 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 20.3 ptp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.573 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 24.6 m95 -123.99 151.7 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 111.357 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.465 HG13 ' HB2' ' A' ' 137' ' ' CYS . 46.9 t -124.42 120.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.449 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 17.8 p -67.21 157.37 33.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 0.0 110.803 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -54.16 -19.13 4.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.239 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.25 -37.28 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.465 ' HB2' HG13 ' A' ' 133' ' ' VAL . 94.9 m -86.57 -32.88 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.313 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.451 ' HB2' HG12 ' A' ' 133' ' ' VAL . 56.9 ttp180 -62.53 -40.6 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.55 -43.12 13.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.08 -25.08 66.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 34.4 tt0 -112.19 11.5 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.232 179.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.508 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo . . . . . 0 N--CA 1.46 -0.486 0 N-CA-C 111.667 -0.167 . . . . 0.0 111.667 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.6 p -138.37 153.29 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.528 0.68 . . . . 0.0 112.789 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.5 t -74.78 138.07 42.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.623 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.15 16.79 36.33 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.364 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -123.84 -70.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.963 0.411 . . . . 0.0 110.576 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.7 p -89.82 -9.72 48.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.686 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 33.6 t-80 48.12 25.68 0.87 Allowed 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.632 0.254 . . . . 0.0 111.489 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -109.58 -60.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.714 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.501 HG21 ' HB2' ' A' ' 116' ' ' CYS . 82.5 m -63.12 116.64 5.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -95.26 130.37 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.184 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 114' ' ' LYS . 4.1 m-85 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.774 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.512 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.227 0 CA-C-O 120.793 0.107 . . . . 0.0 113.092 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.567 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 50.0 m80 -96.45 130.01 43.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.739 0.304 . . . . 0.0 110.57 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.81 135.35 54.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.38 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 36.3 t -54.75 127.11 26.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.992 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 131' ' ' MET . 32.7 t -58.59 -18.3 28.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.383 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -111.38 -72.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 0.0 111.595 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.08 -24.71 59.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.641 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 69.11 7.01 5.98 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.539 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.0 m -66.45 146.13 54.89 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.724 0.297 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 81.0 mttt -86.72 110.73 20.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.452 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.3 p90 -128.63 163.43 25.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.182 0.515 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.501 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.1 p -86.76 171.56 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.075 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -94.5 -16.73 23.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 82.4 m -108.25 34.41 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.106 0.479 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.2 170.33 38.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.274 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -130.67 154.11 20.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.829 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.421 ' HB3' ' HB2' ' A' ' 109' ' ' SER . 38.3 mtt . . . . . 0 CA--C 1.522 -0.113 0 CA-C-O 121.059 0.457 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 23.6 m95 -99.8 151.32 21.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.514 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 137' ' ' CYS . 43.1 t -127.36 120.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.473 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.2 p -61.88 155.2 23.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.422 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 95.1 m-20 -53.48 -19.56 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.128 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.84 -33.67 27.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.462 ' HB2' HG13 ' A' ' 133' ' ' VAL . 55.5 m -89.3 -34.17 16.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.479 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.447 ' N ' ' CG1' ' A' ' 133' ' ' VAL . 45.9 ttp180 -61.97 -41.85 98.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.57 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 139' ' ' LYS . 1.3 tmtp? -81.2 -56.89 3.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -50.69 -25.89 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 9.8 tt0 -111.22 18.36 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.873 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.461 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 2.5 Cg_endo . . . . . 0 N--CA 1.457 -0.624 0 N-CA-C 111.24 -0.331 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.423 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 6.1 p -136.64 153.76 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.32 137.08 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.609 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.29 20.67 15.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.583 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 115' ' ' PHE . 4.9 mp -127.06 -69.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.327 . . . . 0.0 110.5 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -89.0 -12.82 40.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.305 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 65.3 m80 50.96 32.84 7.93 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.441 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -117.2 -61.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.966 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 116' ' ' CYS . 99.8 m -62.74 119.66 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.275 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -94.88 128.65 41.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.494 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.492 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.492 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.621 -0.191 . . . . 0.0 112.621 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.463 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 29.3 m80 -96.22 121.0 37.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.192 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -112.23 135.26 53.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 28.8 t -56.42 123.89 16.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' A' ' 131' ' ' MET . 69.6 p -58.56 -18.35 28.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -107.71 -73.75 0.68 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.427 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -58.71 -25.54 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 73.52 3.72 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.4 m -66.48 144.16 56.65 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.909 0.385 . . . . 0.0 111.153 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 31.2 mtmm -86.17 112.34 21.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.723 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.459 ' HB3' HD11 ' A' ' 94' ' ' ILE . 3.5 p90 -125.9 162.77 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.189 0.519 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.502 ' HB2' HG21 ' A' ' 98' ' ' THR . 30.7 p -87.49 171.36 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.899 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.67 25.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.677 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.44 -17.38 22.54 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.8 29.46 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.0 0.429 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.437 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.83 167.06 36.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.398 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.52 171.13 22.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.778 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.833 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.452 ' HB3' ' HB3' ' A' ' 109' ' ' SER . 37.7 mtt . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.083 0.468 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.463 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 20.3 m95 -100.2 142.43 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.301 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.531 HG12 ' HB2' ' A' ' 137' ' ' CYS . 16.5 t -124.96 126.13 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.4 p -60.15 155.02 18.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.19 0.519 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.7 m-20 -54.32 -19.16 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.964 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.1 -33.25 29.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.531 ' HB2' HG12 ' A' ' 133' ' ' VAL . 23.3 m -89.54 -35.76 15.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.326 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -63.21 -36.08 82.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.976 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 135' ' ' ASN . 56.1 mtmt -90.25 -33.41 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -74.16 -25.97 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -85.23 -9.26 57.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.813 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.898 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.466 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo . . . . . 0 N--CA 1.458 -0.609 0 N-CA-C 111.323 -0.299 . . . . 0.0 111.323 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.2 p -133.47 149.84 51.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.497 0.665 . . . . 0.0 112.73 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 52.9 t -72.45 136.64 46.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.456 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.02 11.99 51.79 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.804 -0.713 . . . . 0.0 113.413 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.3 mp -119.31 -69.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.831 0.348 . . . . 0.0 110.761 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.8 p -88.67 -10.12 49.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.633 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.1 m80 48.66 25.64 1.03 Allowed 'General case' 0 C--N 1.335 -0.041 0 CA-C-O 120.736 0.303 . . . . 0.0 111.397 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -112.92 -58.14 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 116' ' ' CYS . 96.9 m -63.12 111.82 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.198 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -94.36 126.89 39.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.228 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.179 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.493 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 39.7 m80 -96.14 118.23 32.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.327 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -106.81 135.22 48.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.308 -179.012 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 37.6 t -56.32 125.21 20.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.1 t -58.75 -17.75 25.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 -75.17 0.64 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 111.366 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.3 m -59.61 -24.66 63.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 71.1 mm-40 73.09 4.91 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 84.9 m -66.41 142.38 57.61 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 110.89 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 33.1 mtmt -84.76 108.43 17.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -123.48 163.82 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.171 0.51 . . . . 0.0 111.397 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.7 p -86.52 169.52 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.714 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.795 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -94.45 -16.85 23.01 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 65.7 m -107.5 31.54 5.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.069 0.462 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -179.8 167.08 36.65 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.125 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 138' ' ' ARG . . . -115.07 153.82 17.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.835 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 69.0 ttt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mtm . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 121.085 0.469 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.493 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 41.2 m95 -114.09 135.01 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 38.8 t -119.03 130.86 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.7 p -64.53 155.97 31.28 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.193 0.521 . . . . 0.0 111.324 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.9 m-20 -52.62 -21.37 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.08 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mt -82.9 -33.7 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 110.791 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.472 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 41.6 m -89.26 -36.1 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.41 ' HD3' ' HA3' ' A' ' 121' ' ' GLY . 56.1 ttp180 -62.72 -40.97 98.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.88 -48.64 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.75 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -75.62 -21.55 57.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 137' ' ' CYS . 61.5 tt0 -78.55 -18.14 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.379 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.411 ' OXT' ' HG3' ' A' ' 142' ' ' GLU . 11.9 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.883 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.465 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.4 Cg_exo . . . . . 0 N--CA 1.458 -0.567 0 N-CA-C 111.178 -0.354 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.7 p -137.54 147.23 44.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.506 0.67 . . . . 0.0 112.725 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.3 t -69.08 138.4 54.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.947 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.61 19.44 28.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.201 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -126.4 -68.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -90.27 -11.0 42.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.498 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 48.26 28.71 1.67 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.72 0.295 . . . . 0.0 111.492 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -113.63 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -63.02 114.62 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.0 mtmm -94.22 124.64 38.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.455 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.0 m-85 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.903 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.148 0 CA-C-O 120.756 0.087 . . . . 0.0 113.079 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -100.0 116.75 32.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.903 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.25 131.79 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 33.7 t -55.16 125.88 22.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.489 ' OG ' HG22 ' A' ' 133' ' ' VAL . 81.1 p -63.31 -13.06 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.17 -81.93 0.51 Allowed 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.7 p -74.89 -0.24 17.89 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 25.9 mm-40 64.5 14.38 8.86 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.9 m -64.13 131.37 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.703 0.287 . . . . 0.0 110.699 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -83.11 109.64 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.512 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 7.2 p90 -127.26 163.93 22.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 111.785 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.3 p -86.36 171.76 10.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.711 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.47 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.404 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 14.6 ptp180 -95.58 -11.94 26.5 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.3 m -108.26 33.0 4.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.389 . . . . 0.0 111.304 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -166.09 -154.18 8.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.422 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 138' ' ' ARG . . . -150.32 151.45 23.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.819 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.711 0.291 . . . . 0.0 110.906 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.428 ' HB2' ' HB3' ' A' ' 109' ' ' SER . 25.5 ptt? . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.83 0.348 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -124.07 145.72 49.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.34 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.489 HG22 ' OG ' ' A' ' 109' ' ' SER . 87.5 t -125.26 126.58 71.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.512 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 27.3 p -60.51 154.05 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.288 0.566 . . . . 0.0 111.402 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.8 m-20 -54.21 -18.27 3.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.247 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.83 -37.57 29.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 98.5 m -89.12 -35.03 16.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.302 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.401 ' HD3' ' HA3' ' A' ' 121' ' ' GLY . 56.7 ttp180 -62.1 -35.24 78.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -71.15 -32.42 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -110.79 26.61 10.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.22 -179.915 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo . . . . . 0 N--CA 1.46 -0.466 0 N-CA-C 111.363 -0.283 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.0 p -136.4 152.3 50.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 112.971 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.41 135.16 38.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.413 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.98 9.24 57.63 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.343 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -115.3 -70.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.743 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -88.71 -14.95 36.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.665 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 57.8 t-80 53.67 22.12 2.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -107.41 -59.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.534 HG21 ' HB2' ' A' ' 116' ' ' CYS . 79.5 m -63.22 113.07 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 9.2 mtmp? -96.48 121.82 38.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.33 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.535 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.2 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.535 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.745 -0.142 . . . . 0.0 112.745 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 77.9 m-70 -97.31 117.57 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.68 130.29 52.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.021 0.438 . . . . 0.0 111.364 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 33.6 t -54.71 123.64 13.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.0 t -58.95 -17.46 24.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.182 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -106.86 -74.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.835 0.35 . . . . 0.0 111.383 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.7 m -60.34 -24.83 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.481 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 63.4 mm-40 74.3 2.77 4.21 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.1 m -66.91 141.61 57.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.22 118.34 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.2 p90 -131.48 163.52 27.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.415 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.534 ' HB2' HG21 ' A' ' 98' ' ' THR . 26.7 p -86.68 171.84 10.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.16 -16.96 23.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.404 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -94.1 -19.66 20.61 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 57.9 m -104.7 23.9 12.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.367 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -178.48 -178.28 47.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.601 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -145.74 164.28 28.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.562 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.822 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.994 0.426 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 33.0 m95 -99.27 151.65 20.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.461 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 45.4 t -134.61 123.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.747 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.4 p -58.93 155.56 13.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.234 0.54 . . . . 0.0 111.431 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -56.08 -17.39 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.043 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.9 mt -82.99 -32.88 26.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -89.15 -41.39 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.386 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -63.05 -33.15 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.689 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -85.23 -56.29 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -52.49 -28.49 20.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 35.9 tt0 -80.94 -6.58 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.579 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.511 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 5.5 Cg_exo . . . . . 0 N--CA 1.464 -0.213 0 N-CA-C 111.693 -0.157 . . . . 0.0 111.693 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 p -136.15 156.09 49.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.551 0.691 . . . . 0.0 112.754 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 96' ' ' HIS . 48.7 t -79.21 123.2 27.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.375 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.431 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -73.37 0.98 45.43 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.505 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -101.32 -72.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.892 0.346 . . . . 0.0 110.646 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.6 p -90.66 -14.29 32.59 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' CYS . 82.4 m-70 59.88 26.75 16.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.712 0.291 . . . . 0.0 111.309 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -113.76 -65.19 1.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.558 HG21 ' HB2' ' A' ' 116' ' ' CYS . 68.3 m -63.2 119.45 9.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -94.93 140.35 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.944 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.8 m-85 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.202 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -95.43 126.85 41.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.719 0.295 . . . . 0.0 110.331 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -113.42 131.21 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 111.432 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 34.6 t -55.04 124.95 18.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.1 t -58.71 -18.53 32.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -107.45 -74.64 0.65 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.4 m -58.13 -25.67 61.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.619 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 70.8 mm-40 72.63 3.89 4.82 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.469 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.7 m -68.38 146.69 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 120.704 0.287 . . . . 0.0 111.088 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -86.06 111.73 20.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.524 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -125.01 163.15 22.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.081 0.467 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.558 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.9 p -87.07 168.47 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.998 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.26 -19.68 15.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.552 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -92.79 -13.48 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 94' ' ' ILE . 24.5 m -107.38 25.73 11.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.8 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.76 -167.2 32.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.32 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -147.32 156.36 26.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.656 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 62.2 ttp180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 121.136 0.494 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 23.9 m95 -103.2 142.38 34.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.214 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 137' ' ' CYS . 34.8 t -123.96 122.91 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.3 154.55 13.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.283 0.563 . . . . 0.0 111.33 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 4.6 m-20 -54.87 -19.25 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.868 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.68 -31.23 32.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.465 ' HB2' HG12 ' A' ' 133' ' ' VAL . 50.0 m -89.47 -35.33 16.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.75 -35.6 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -90.68 -30.73 16.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -75.45 -24.17 56.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.42 21.85 7.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.073 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB2' ' CB ' ' A' ' 100' ' ' PHE . 4.3 Cg_endo . . . . . 0 N--CA 1.458 -0.615 0 N-CA-C 111.3 -0.308 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -135.39 145.09 46.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.7 t -66.85 130.66 43.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.789 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.529 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -75.77 1.16 59.43 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.455 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.1 mp -109.31 -73.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.739 0.27 . . . . 0.0 111.443 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.9 p -87.07 -12.55 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.762 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 36.8 t-80 51.23 27.71 3.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.725 0.298 . . . . 0.0 111.272 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -109.03 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.2 m -63.5 114.73 4.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.077 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 63.2 mttp -95.98 123.3 39.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.271 179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.4 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.69 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.455 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 94.8 m-70 -99.92 125.56 45.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -113.94 129.17 56.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 36.8 t -54.08 126.15 21.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.236 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 t -63.98 -12.19 35.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.404 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.9 m-85 -103.6 -78.34 0.55 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.33 5.38 14.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 1.8 mp0 58.52 16.13 4.03 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.2 m -64.38 129.43 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 110.838 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -82.5 109.32 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.233 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 5.5 p90 -127.83 164.62 21.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.263 0.554 . . . . 0.0 111.737 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.27 166.54 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.496 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -17.4 15.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.953 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 118' ' ' ARG . 11.0 mtp-105 -95.15 -12.46 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.8 m -112.39 29.88 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -163.68 -170.16 28.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.99 150.02 19.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.802 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 110.798 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 43.8 mtt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.954 0.407 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.455 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 46.3 m95 -123.88 141.32 52.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.0 t -130.27 126.03 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.61 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 32.0 p -58.2 151.13 19.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.531 . . . . 0.0 111.369 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -54.22 -17.71 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.476 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.28 -36.59 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 51.2 m -85.57 -38.04 18.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.09 -38.72 92.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.655 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -65.0 -55.12 20.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.82 -23.19 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -95.8 -4.81 43.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.658 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo . . . . . 0 N--CA 1.457 -0.628 0 N-CA-C 111.354 -0.287 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -135.37 149.22 49.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.552 0.691 . . . . 0.0 112.641 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 50.0 t -70.67 135.9 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.471 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.89 9.02 55.03 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.398 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.2 mp -117.83 -72.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.2 p -88.08 -6.78 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.885 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 28.5 p80 44.98 27.61 0.3 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -110.61 -56.81 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.5 HG21 ' HB2' ' A' ' 116' ' ' CYS . 86.6 m -63.11 113.53 3.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.026 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 23.6 mtpp -94.1 119.03 32.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.0 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 120.753 0.085 . . . . 0.0 112.909 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.551 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 88.4 m-70 -97.7 124.6 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 110.596 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -113.93 134.08 55.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 27.4 t -55.23 122.73 11.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.1 t -58.94 -17.54 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.139 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.25 -74.98 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.579 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.4 m -59.33 -24.89 63.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.59 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 75.44 2.48 3.83 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.4 m -65.71 141.99 58.17 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.9 112.73 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -128.44 162.96 25.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.279 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.5 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.7 p -86.95 170.87 11.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.75 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.19 -15.34 23.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.702 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -93.52 -17.65 23.15 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.403 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 88.4 m -109.22 35.69 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.84 -153.52 10.86 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.213 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.66 152.63 23.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.042 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.662 0.268 . . . . 0.0 110.781 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 12.4 ptp . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.944 0.402 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.551 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 40.8 m95 -105.83 149.66 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.84 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 40.0 t -132.76 123.58 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.616 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 18.7 p -60.77 155.62 18.93 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.226 0.536 . . . . 0.0 111.797 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 93.8 m-20 -55.38 -18.64 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.019 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.93 -32.35 34.66 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 110.145 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.474 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 56.0 m -88.9 -36.86 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.06 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.01 -30.11 71.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.636 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -88.63 -51.3 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.18 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -96.16 21.12 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.082 179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.1 Cg_exo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 110.464 -0.629 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 p -133.41 146.87 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.06 138.39 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.513 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.1 14.29 44.98 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.481 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.6 mp -121.8 -69.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.4 p -89.33 -8.36 53.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.649 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 16.4 p80 44.84 27.56 0.28 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.663 0.268 . . . . 0.0 111.662 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -113.09 -58.14 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 116' ' ' CYS . 77.4 m -63.27 115.0 4.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.994 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 51.9 mttp -93.32 126.31 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.342 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 10.3 m-85 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.811 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.239 0 N-CA-C 112.633 -0.187 . . . . 0.0 112.633 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 30.3 m80 -95.76 124.58 39.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.782 0.325 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -113.43 134.12 54.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 34.7 t -56.76 123.51 15.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.754 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 132' ' ' TRP . 46.6 t -59.53 -16.97 28.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.955 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -105.18 -75.3 0.63 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.884 0.374 . . . . 0.0 111.458 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 4.8 m -61.81 -23.97 66.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.718 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 19.3 mm-40 74.12 3.81 4.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.345 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 88.9 m -66.44 146.49 54.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.871 0.367 . . . . 0.0 111.202 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -86.73 113.34 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.491 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.4 p90 -126.96 163.08 24.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.221 0.534 . . . . 0.0 111.462 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.567 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.4 p -87.37 171.59 10.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.681 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.71 -18.61 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -96.33 -14.49 22.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 57.9 m -109.16 33.57 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.13 -157.77 14.76 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.373 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -157.4 160.3 30.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.641 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.731 0.301 . . . . 0.0 110.733 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 41.4 mtt . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 121.164 0.507 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.558 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 56.8 m95 -107.57 139.64 41.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.158 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 92.4 t -130.2 127.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.421 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 25.0 p -58.15 153.8 14.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.294 0.568 . . . . 0.0 111.741 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -54.78 -18.95 5.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.985 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.65 -33.59 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.179 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 23.3 m -89.25 -36.22 15.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.207 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -62.43 -34.82 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.697 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -87.0 -48.63 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -54.04 -23.97 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -106.25 0.5 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.716 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 6.3 Cg_endo . . . . . 0 N--CA 1.454 -0.8 0 N-CA-C 111.087 -0.39 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 p -137.09 148.17 46.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.57 138.14 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.185 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 114' ' ' LYS . . . -86.55 15.27 52.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.558 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.8 mp -124.3 -56.79 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.939 0.399 . . . . 0.0 110.74 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.67 -26.28 24.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 60.61 22.9 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.513 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -130.63 -46.35 1.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.702 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.9 m -63.14 111.55 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 17.8 mtpp -93.98 128.33 40.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.854 0.359 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.8 127.15 42.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.704 0.288 . . . . 0.0 110.322 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -112.17 127.73 56.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 33.7 t -54.77 124.22 15.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 47.4 t -63.76 -12.23 33.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.639 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.413 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 97.0 m-85 -102.75 -79.23 0.53 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.9 p -79.98 5.03 15.09 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.9 mp0 59.88 14.72 4.41 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.3 m -65.73 133.38 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 93.6 mttt -84.13 114.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.111 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 11.5 p90 -131.17 163.5 27.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.116 0.484 . . . . 0.0 111.35 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.6 p -86.27 167.64 14.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.687 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.42 -17.45 8.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.122 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -93.66 -14.67 26.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 94.4 m -110.21 38.6 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 111.254 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 177.71 166.86 34.99 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.4 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -119.3 159.01 14.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.825 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.404 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 18.6 ptp . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 121.09 0.471 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -108.92 149.71 28.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.564 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.2 125.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.7 p -60.91 155.56 19.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.604 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.78 -15.58 8.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.218 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.29 -35.51 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 110.671 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 92.0 m -89.36 -34.06 16.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -63.71 -38.5 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.022 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.01 -55.04 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -55.01 -22.64 16.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.285 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 141' ' ' GLN . 36.0 tt0 -104.94 -0.27 27.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.741 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.973 -179.88 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 5.8 Cg_exo . . . . . 0 N--CA 1.461 -0.399 0 N-CA-C 111.227 -0.336 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.6 p -134.83 149.74 50.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 0.0 112.703 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.16 136.44 44.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.594 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.15 12.32 50.7 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.344 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -119.56 -69.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -88.78 -11.05 46.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.763 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.3 m80 49.78 24.67 1.31 Allowed 'General case' 0 N--CA 1.46 0.062 0 CA-C-O 120.756 0.312 . . . . 0.0 111.465 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -112.24 -59.02 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 116' ' ' CYS . 88.8 m -63.12 109.47 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.6 mtpt -93.14 122.91 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.684 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.649 -0.181 . . . . 0.0 112.649 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.407 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 80.5 m-70 -97.11 125.88 41.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -112.9 128.82 56.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.151 0.501 . . . . 0.0 111.018 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 35.6 t -55.31 124.99 18.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.307 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.6 t -64.19 -11.64 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.778 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.7 m-85 -105.64 -79.21 0.56 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.4 p -77.67 2.27 17.26 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.7 mp0 62.9 12.83 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.5 m -65.01 133.62 52.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 111.053 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 88.6 mttt -83.27 114.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.147 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CE2' ' N ' ' A' ' 134' ' ' CYS . 8.9 p90 -131.72 163.62 27.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.196 0.522 . . . . 0.0 111.771 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.3 p -86.84 168.18 13.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.472 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.31 -16.97 16.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.802 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -93.49 -16.98 23.93 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.9 m -108.04 37.6 2.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.039 0.447 . . . . 0.0 110.877 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.6 -156.83 16.34 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.292 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.26 155.89 26.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.601 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 110.654 179.813 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.1 ptp . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 121.155 0.502 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' SER . 45.0 m95 -109.83 140.25 43.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.347 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 64.3 t -129.67 128.91 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.822 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.501 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 31.6 p -58.87 153.18 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 0.0 111.14 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -57.15 -16.07 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.057 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.4 mt -82.0 -35.3 29.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.685 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.441 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 57.7 m -89.41 -36.82 15.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -62.99 -37.68 88.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -88.39 -50.6 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 28.8 tt0 -53.01 -28.83 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.01 16.27 25.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.385 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.676 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.499 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo . . . . . 0 N--CA 1.457 -0.657 0 N-CA-C 111.118 -0.378 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.6 p -139.42 152.42 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.28 134.55 42.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.401 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.34 8.57 60.88 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.622 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.1 mp -117.01 -56.03 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.9 m -84.91 -25.27 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 54.1 t-80 61.65 18.6 9.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.11 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -132.67 -43.71 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 0.0 110.788 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.515 HG21 ' CB ' ' A' ' 116' ' ' CYS . 74.6 m -62.6 108.44 1.14 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.8 mttp -94.27 132.98 38.29 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 5.2 m-85 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.196 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.229 0 CA-C-O 120.796 0.109 . . . . 0.0 113.039 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 39.0 m80 -99.78 132.35 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 110.793 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.79 126.6 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.097 0.475 . . . . 0.0 110.703 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 34.3 t -54.44 125.98 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.736 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 132' ' ' TRP . 31.2 t -63.73 -12.99 39.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.672 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 141' ' ' GLN . 93.0 m-85 -104.57 -84.11 0.49 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.91 -4.57 25.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 72.6 mm-40 67.19 10.1 7.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 m -65.02 133.94 52.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.291 . . . . 0.0 110.926 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 90.7 mttt -83.18 117.97 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 6.2 p90 -128.24 163.39 24.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.526 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.515 ' CB ' HG21 ' A' ' 98' ' ' THR . 31.6 p -86.97 171.98 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.71 -19.47 16.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.602 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -94.69 -16.13 23.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 65.1 m -107.93 29.03 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.488 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.84 163.22 30.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.787 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -126.08 165.32 19.31 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.378 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 68.8 ttp85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.518 -0.272 0 CA-C-O 121.133 0.492 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 35.5 m95 -102.84 137.79 40.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.318 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.5 t -131.78 134.0 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.717 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.1 p -59.85 151.92 24.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.145 0.498 . . . . 0.0 111.017 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -54.93 -18.55 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.131 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -81.48 -37.62 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 58.4 m -88.51 -34.77 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.071 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -63.37 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -84.49 -40.45 17.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.433 ' O ' ' NE2' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -66.24 -34.75 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.911 179.445 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 110' ' ' TYR . 2.1 mp0 -95.33 11.06 33.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.44 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.933 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.456 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 3.4 Cg_endo . . . . . 0 N--CA 1.456 -0.686 0 N-CA-C 111.232 -0.334 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.0 p -139.32 146.39 40.25 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 48.4 t -64.54 133.69 52.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.67 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.09 3.62 61.04 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.93 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.2 mp -114.92 -55.88 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.02 -23.98 28.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 57.05 22.03 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -129.77 -48.44 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.401 . . . . 0.0 110.751 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.8 m -62.8 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.353 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.1 mtmm -94.22 130.01 40.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.949 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 13.1 m-85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.853 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 66.3 m80 -98.83 124.9 44.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.937 0.398 . . . . 0.0 110.483 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -113.3 129.38 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.83 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 25.4 t -54.77 124.0 15.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.53 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' HG22 ' A' ' 133' ' ' VAL . 96.2 p -63.33 -13.44 39.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.496 ' CE1' ' NE2' ' A' ' 141' ' ' GLN . 97.3 m-85 -103.1 -82.2 0.49 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.9 p -77.58 3.63 13.25 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 27.1 mp0 62.5 12.48 5.44 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.7 m -64.31 127.57 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 0.0 110.765 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -81.5 112.09 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.494 . . . . 0.0 110.24 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 9.2 p90 -124.84 163.67 21.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.618 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.2 p -86.7 170.94 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.368 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.41 -19.11 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.841 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.43 -15.99 22.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 71.6 m -107.98 34.08 3.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.952 0.406 . . . . 0.0 111.489 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.464 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -177.14 177.95 48.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.23 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.92 155.23 23.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.87 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.501 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 56.8 ttp180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' ' 109' ' ' SER . 44.7 mtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.885 0.374 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.563 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 18.8 m95 -115.21 143.74 44.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 85.5 t -125.38 129.14 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.68 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.4 p -63.2 153.98 32.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.268 0.556 . . . . 0.0 111.287 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.9 m-20 -54.38 -18.49 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.357 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.74 -38.39 28.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.039 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 90.0 m -85.81 -33.9 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.988 0.423 . . . . 0.0 110.172 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.07 -32.14 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.882 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -90.75 -46.31 8.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -67.85 -32.76 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.496 ' NE2' ' CE1' ' A' ' 110' ' ' TYR . 19.8 pt20 -147.32 57.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.451 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 2.0 Cg_endo . . . . . 0 N--CA 1.458 -0.588 0 N-CA-C 110.939 -0.446 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -138.39 147.63 43.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.492 0.663 . . . . 0.0 112.784 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.5 t -68.65 135.49 51.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.632 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.84 19.65 24.11 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.587 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.6 mp -123.56 -67.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.5 p -88.71 -19.36 26.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 96' ' ' HIS . 13.5 t-160 56.13 37.84 29.25 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.053 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -126.28 -54.52 1.47 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.321 . . . . 0.0 111.118 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.2 m -63.61 118.76 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -97.08 123.88 40.95 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 12.3 m-85 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.117 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 41.2 m80 -96.28 120.84 37.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.497 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.2 m120 -113.57 133.68 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 33.4 t -55.02 125.64 21.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.563 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.1 t -58.74 -17.5 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -108.05 -72.44 0.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.88 0.371 . . . . 0.0 111.365 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.2 m -60.54 -24.43 65.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.518 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 82.3 mm-40 68.99 7.69 6.39 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.27 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 107' ' ' ASN . 62.7 m -67.13 143.96 56.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -85.0 110.29 18.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.734 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -126.97 163.48 23.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.241 0.544 . . . . 0.0 111.673 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.8 p -87.16 171.79 10.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.604 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.48 -13.12 26.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.972 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -95.53 -14.83 23.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.65 29.7 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 111.31 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.5 -177.27 41.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.326 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -139.55 153.57 23.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 44.9 mtp . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.017 0.437 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.534 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 29.3 m95 -101.51 136.95 40.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.957 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.6 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.655 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.6 p -58.13 152.5 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -54.01 -20.34 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.889 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.1 mt -80.2 -32.96 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.031 0.443 . . . . 0.0 110.068 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.48 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 19.2 m -89.65 -28.42 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.138 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.66 -41.04 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -91.25 -44.55 9.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 53.6 tt0 -61.54 -33.39 73.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -117.35 16.67 14.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.465 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.213 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.2 Cg_endo . . . . . 0 N--CA 1.457 -0.63 0 N-CA-C 111.387 -0.274 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -137.54 148.58 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 47.6 t -71.51 138.0 48.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.618 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.92 59.99 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.494 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.3 mp -121.38 -55.83 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.835 0.35 . . . . 0.0 110.755 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.74 -24.32 25.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 57.13 22.24 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -131.59 -49.22 0.97 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.4 m -62.83 108.05 1.11 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.259 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 33.6 mtmm -93.21 130.41 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.04 0.448 . . . . 0.0 110.586 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.2 m-85 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.306 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.144 0 CA-C-O 120.883 0.157 . . . . 0.0 113.077 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.557 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 44.6 m80 -98.93 130.9 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.633 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.42 129.46 55.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.129 0.49 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 38.1 t -55.14 125.94 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.271 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' TRP . 23.8 t -62.94 -13.49 35.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.626 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.84 -84.0 0.48 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -71.69 -3.24 20.69 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 27.2 mm-40 66.03 12.83 8.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 31.7 m -64.64 133.72 52.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.0 mttp -83.16 115.01 21.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 5.5 p90 -128.83 163.22 25.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.1 p -87.41 172.04 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.926 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.45 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.402 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 16.5 ptm180 -95.27 -11.76 27.37 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 55.2 m -104.71 31.83 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.267 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.493 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -169.66 -167.22 29.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.536 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -150.61 142.0 9.21 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.687 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.49 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 10.4 ptp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.801 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.9 ptt? . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 121.252 0.549 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.557 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 37.9 m95 -106.08 137.46 43.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.305 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.86 131.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.67 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.4 p -59.01 150.08 25.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.024 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -54.22 -17.36 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.42 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 mt -82.31 -40.15 21.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.71 -37.92 22.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 0.0 110.298 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -64.24 -34.58 78.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.28 -55.27 3.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -50.8 -31.67 17.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.257 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -124.64 34.86 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.075 0.464 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.405 ' HG3' ' OXT' ' A' ' 142' ' ' GLU . 9.0 pt-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.021 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.6 Cg_endo . . . . . 0 N--CA 1.458 -0.606 0 N-CA-C 111.504 -0.229 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 p -133.13 147.76 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.369 0.604 . . . . 0.0 112.468 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.6 t -70.61 130.26 41.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.463 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.515 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -74.74 -0.36 59.06 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.341 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.685 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -108.31 -72.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.73 0.265 . . . . 0.0 111.439 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -87.5 -10.44 51.74 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.5 m80 49.87 24.98 1.43 Allowed 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.675 0.274 . . . . 0.0 111.496 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -108.07 -63.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 116' ' ' CYS . 81.8 m -63.31 117.15 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.034 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 60.3 mttp -94.8 123.38 38.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.252 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.4 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.221 0 CA-C-O 120.837 0.132 . . . . 0.0 112.848 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.422 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 77.0 m-70 -95.73 120.85 36.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.947 0.403 . . . . 0.0 110.43 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -110.47 132.28 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.973 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 112' ' ' GLN . 20.9 t -55.68 122.37 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.251 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 34.3 t -58.02 -18.88 27.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -104.62 -74.81 0.64 Allowed 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.381 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 5.8 m -59.9 -25.26 64.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.686 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 73.9 mm-40 73.34 4.05 4.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 57.7 m -67.72 145.52 54.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.855 0.36 . . . . 0.0 111.143 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.494 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 45.3 mtmt -86.14 114.64 23.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.495 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.9 p90 -128.96 163.0 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.196 0.522 . . . . 0.0 111.274 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.2 p -88.1 171.67 10.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.571 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.43 26.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.529 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 118' ' ' ARG . 13.6 mmp_? -92.58 -20.84 20.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.327 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 68.7 m -105.24 25.08 11.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.96 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -171.04 176.89 44.26 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.492 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -134.71 157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.483 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 4.3 ptm85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 110.732 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.412 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 22.0 ptt? . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 121.164 0.507 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.483 ' CZ2' ' HB3' ' A' ' 122' ' ' ARG . 18.7 m95 -101.47 142.7 32.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.545 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.479 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.8 t -128.18 128.26 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.354 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.2 p -57.87 152.7 15.45 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.152 0.501 . . . . 0.0 111.72 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -55.53 -18.95 8.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.746 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 136' ' ' LEU . 4.5 mt -80.95 -31.54 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.045 0.45 . . . . 0.0 109.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.479 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 15.6 m -89.59 -31.01 17.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 178.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.18 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -88.85 -45.3 9.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.548 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -79.06 -37.15 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -112.24 25.45 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.491 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.165 -0.922 . . . . 0.0 111.066 179.676 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.25 119.42 13.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.56 98.41 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -124.69 25.34 7.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.69 20.79 78.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.736 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -80.6 124.98 29.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.31 166.05 38.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.454 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo -83.7 130.71 5.19 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.24 2.626 . . . . 0.0 111.523 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -134.9 149.66 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.511 0.672 . . . . 0.0 112.711 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 52.6 t -73.13 136.04 44.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.355 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.62 13.31 48.06 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.311 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.5 mp -119.41 -69.26 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.1 p -88.95 -14.11 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.5 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 33.4 t-80 52.97 23.49 2.91 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -111.18 -58.16 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.909 0.385 . . . . 0.0 110.622 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 116' ' ' CYS . 68.8 m -63.22 112.19 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.5 mtmt -94.17 124.32 38.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.216 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 -56.18 169.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.16 -171.35 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.278 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -58.18 94.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.49 -105.96 0.58 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.623 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.5 p -142.6 140.0 31.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -80.71 -136.17 1.72 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.797 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.42 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 66.5 m-70 -96.68 121.38 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.709 0.29 . . . . 0.0 110.638 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -110.03 129.9 55.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 29.9 t -54.7 122.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.5 t -59.41 -17.31 29.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.94 -77.69 0.58 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.356 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.8 m -58.46 -24.73 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.688 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 63.2 mm-40 74.97 2.83 4.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.8 m -67.68 145.19 55.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 111.302 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.3 mttp -86.6 116.39 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.455 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.8 p90 -130.53 163.26 27.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 111.309 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.429 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.8 p -86.88 171.79 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.735 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.12 -15.87 27.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.977 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -94.42 -17.94 22.02 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 93.2 m -106.84 29.21 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -173.22 -172.07 38.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.593 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.92 158.01 27.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.437 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -88.54 121.83 31.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.7 t -136.62 92.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.5 m -91.42 131.79 36.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.043 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.2 mt -92.66 79.14 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.084 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 67.19 135.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.839 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 63.8 m -44.08 97.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.073 0.463 . . . . 0.0 111.458 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.5 t30 179.82 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -154.86 127.6 8.07 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.365 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.5 t -96.3 118.47 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.99 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 54.2 mtt -113.39 143.34 44.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.42 ' CE2' ' ND1' ' A' ' 106' ' ' HIS . 39.9 m95 -114.57 131.48 56.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 65.5 t -118.68 125.22 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.755 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.2 p -58.42 155.02 12.63 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.165 0.507 . . . . 0.0 111.577 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -55.9 -18.56 9.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.814 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.99 -31.17 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 22.4 m -89.65 -45.08 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.439 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.02 -29.2 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -88.77 -51.75 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.0 -33.17 75.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.42 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -89.31 9.71 25.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.506 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.908 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.872 0.368 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -156.57 126.37 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -154.49 -77.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.63 177.75 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.43 -98.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.566 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -125.14 128.12 47.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.96 162.82 66.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.986 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.8 Cg_endo -83.62 137.31 7.81 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.05 2.5 . . . . 0.0 111.702 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 p -137.24 147.13 45.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.891 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 44.2 t -68.05 136.66 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.679 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.57 16.6 34.66 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.3 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.6 mp -124.45 -70.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 110.587 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.7 p -90.13 -8.2 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.842 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 13.4 p80 45.39 29.55 0.59 Allowed 'General case' 0 C--O 1.231 0.097 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -111.17 -61.12 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.746 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.475 HG21 ' HB2' ' A' ' 116' ' ' CYS . 86.4 m -63.37 116.69 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.26 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -95.12 124.75 39.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.491 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 -61.92 179.39 0.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.522 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 102' ' ' ASP . . . -129.9 157.01 43.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.513 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 101' ' ' ALA . 18.6 t70 69.72 6.7 5.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.716 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.28 -36.69 4.19 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.45 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 43.0 t -142.16 140.49 32.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.035 0.417 . . . . 0.0 111.449 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -98.91 -129.33 6.48 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.25 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.589 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 14.0 m80 -98.22 117.75 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -109.55 137.66 47.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.891 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.893 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.4 t -55.33 126.26 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.2 t -58.39 -18.26 26.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.274 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 81.7 m-85 -111.11 -73.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.275 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 11.9 m -56.17 -24.42 41.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.36 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 29.1 mm-40 69.42 5.66 5.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.705 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.9 m -67.26 143.44 56.47 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 94.2 mttt -85.27 113.75 21.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.969 0.414 . . . . 0.0 110.702 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.477 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.7 p90 -130.62 163.43 27.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.564 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.475 ' HB2' HG21 ' A' ' 98' ' ' THR . 30.9 p -87.35 172.07 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.987 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.9 34.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -92.12 -18.18 23.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.503 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 94.6 m -110.12 35.55 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 174.83 163.19 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.611 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -118.48 148.32 18.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.439 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 57.2 ttp180 -88.73 133.3 34.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.9 t -132.13 123.37 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.3 t -93.86 136.72 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.8 mt -93.58 -46.66 7.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -139.99 -60.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 87.5 p -175.26 -38.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.02 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -105.07 -26.32 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.19 95.57 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.811 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.58 141.23 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.37 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.2 ptm -141.79 145.8 35.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.589 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 41.0 m95 -118.2 133.52 55.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.489 HG13 ' HB2' ' A' ' 137' ' ' CYS . 53.0 t -114.07 121.6 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.0 p -63.07 156.91 23.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.087 0.47 . . . . 0.0 110.921 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -54.36 -19.32 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.17 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.24 -36.53 27.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 110.697 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.489 ' HB2' HG13 ' A' ' 133' ' ' VAL . 86.2 m -89.1 -34.63 16.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.32 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' HG12 ' A' ' 133' ' ' VAL . 60.2 ttp180 -62.95 -39.27 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.015 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -77.91 -45.12 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -65.76 -28.0 68.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.98 -9.96 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.407 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.813 179.794 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.891 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.893 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -131.93 114.84 15.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -136.72 174.05 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -133.98 32.82 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.48 96.23 0.1 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.776 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -92.71 144.77 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.587 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' HB1' ' NZ ' ' A' ' 99' ' ' LYS . . . -70.3 162.7 68.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.3 Cg_endo -84.0 131.31 5.12 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.33 2.687 . . . . 0.0 111.594 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 p -135.88 148.02 48.44 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.888 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 53.6 t -68.79 137.23 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.89 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.63 12.74 50.93 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.332 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -120.72 -70.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.615 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.7 p -89.41 -9.25 50.94 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.611 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 21.7 p80 45.24 33.2 1.12 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.596 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -117.33 -58.18 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.786 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.524 HG21 ' HB2' ' A' ' 116' ' ' CYS . 83.0 m -63.17 121.18 13.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 19.1 mtpp -92.47 123.03 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.053 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.503 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 12.9 m-85 -51.57 174.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.164 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.12 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.417 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -128.1 -37.36 1.89 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.548 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.41 -60.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.995 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 75.4 m -100.15 93.9 5.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.637 0.256 . . . . 0.0 111.508 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.503 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -73.57 -127.73 0.13 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.468 -0.873 . . . . 0.0 112.222 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -99.09 117.46 33.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.274 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -107.98 134.47 50.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.898 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 25.4 t -55.8 121.95 10.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.4 t -58.77 -17.87 26.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -104.46 -76.54 0.6 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.75 0.309 . . . . 0.0 111.449 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -59.12 -24.51 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 75.62 1.77 3.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.145 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.6 m -66.12 144.27 56.78 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.872 0.368 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 45.7 mtmt -86.42 114.05 22.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -128.74 163.67 24.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.524 ' HB2' HG21 ' A' ' 98' ' ' THR . 32.0 p -86.7 171.38 11.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.652 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.74 -14.78 35.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.741 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -94.59 -17.99 21.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 66.0 m -106.91 34.73 3.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.059 0.457 . . . . 0.0 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.17 179.27 47.35 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -131.92 161.73 23.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.692 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.43 ' HG2' ' CZ2' ' A' ' 132' ' ' TRP . 98.7 mtt180 -88.02 131.68 34.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 110.778 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.9 t -133.07 120.07 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.255 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -92.68 131.2 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.684 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -146.52 167.79 22.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.063 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 54.15 -170.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.027 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 83.9 p -44.02 -49.01 8.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.575 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -176.83 39.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -86.69 140.08 30.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.566 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.8 t -97.61 129.28 47.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.58 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtt -138.72 140.0 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.747 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 44.2 m95 -108.48 144.34 36.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.397 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.0 t -130.25 124.02 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.58 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.2 p -58.0 154.37 12.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.324 0.583 . . . . 0.0 111.776 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -56.13 -17.24 6.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.119 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.66 -34.23 30.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.197 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -86.65 -30.21 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.109 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.204 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -86.74 -48.37 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.27 -24.12 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -109.72 13.84 23.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.498 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.949 179.701 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.888 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.898 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.871 0.367 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -130.45 57.94 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -103.65 84.92 2.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -90.8 131.01 36.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.34 71.49 1.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.555 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.53 124.53 47.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.778 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.02 161.27 79.13 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.991 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.9 Cg_endo -84.29 123.44 3.04 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.337 2.691 . . . . 0.0 111.327 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 7.0 p -137.57 148.34 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 42.1 t -74.49 135.89 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.776 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.35 10.63 58.35 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.284 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.1 mp -117.52 -67.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.716 0.293 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -90.81 -12.54 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.862 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 m80 50.51 24.37 1.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.726 0.298 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -110.19 -61.96 1.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.0 m -63.1 114.62 3.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.935 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 54.4 mtpt -92.6 123.24 35.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 5.4 m-85 -54.44 174.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.38 144.15 33.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.684 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 45.88 27.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 90' ' ' PRO . . . 57.21 44.6 93.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.964 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 53.1 t -146.66 56.15 1.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 122.81 -0.23 . . . . 0.0 111.373 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.567 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -62.94 -164.18 0.45 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.988 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 60.4 m-70 -99.68 115.43 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 110.114 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -103.86 136.5 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.169 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.893 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 25.7 t -54.2 125.78 20.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t -59.1 -17.42 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.423 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -111.34 -72.15 0.73 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.655 0.264 . . . . 0.0 111.386 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 14.6 m -57.23 -25.29 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 79.4 mm-40 71.03 4.64 5.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.648 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.9 m -67.07 141.97 57.3 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.636 0.255 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -84.49 115.46 22.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -132.0 163.7 27.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.182 0.515 . . . . 0.0 111.707 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.7 170.43 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.73 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.16 -15.64 25.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.612 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -92.4 -18.71 22.91 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.415 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 71.3 m -107.1 29.62 6.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.023 0.44 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 176.79 171.83 40.81 Favored Glycine 0 CA--C 1.517 0.177 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.266 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.84 153.46 17.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.822 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.504 ' HB3' ' CH2' ' A' ' 132' ' ' TRP . 37.9 ptt180 -89.48 128.43 35.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.709 0.29 . . . . 0.0 110.732 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 48.8 t -136.6 93.49 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.303 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.4 p -93.22 112.22 24.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.652 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.439 HD12 ' CE ' ' A' ' 131' ' ' MET . 83.0 mt -92.95 140.4 29.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.115 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 63.75 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.2 m -169.74 -53.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 111.163 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -90.58 -17.3 27.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.398 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -84.48 91.66 7.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.985 0.421 . . . . 0.0 111.142 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t -98.7 124.79 52.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.439 ' CE ' HD12 ' A' ' 125' ' ' LEU . 20.3 ptp -139.62 152.26 46.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.723 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.573 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 24.6 m95 -123.99 151.7 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 111.357 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.465 HG13 ' HB2' ' A' ' 137' ' ' CYS . 46.9 t -124.42 120.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.449 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 17.8 p -67.21 157.37 33.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 0.0 110.803 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -54.16 -19.13 4.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.239 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.25 -37.28 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.465 ' HB2' HG13 ' A' ' 133' ' ' VAL . 94.9 m -86.57 -32.88 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.313 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.451 ' HB2' HG12 ' A' ' 133' ' ' VAL . 56.9 ttp180 -62.53 -40.6 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.55 -43.12 13.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.08 -25.08 66.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 34.4 tt0 -112.19 11.5 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.232 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.893 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.834 0.349 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -101.94 97.92 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -96.4 146.29 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.036 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -148.54 92.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.77 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.24 167.96 20.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.404 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -63.19 126.09 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.382 . . . . 0.0 110.707 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.84 166.0 36.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.508 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo -81.3 146.89 15.86 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.123 2.549 . . . . 0.0 111.667 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.6 p -138.37 153.29 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.528 0.68 . . . . 0.0 112.789 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.892 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 43.5 t -74.78 138.07 42.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.623 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.15 16.79 36.33 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.364 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -123.84 -70.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.963 0.411 . . . . 0.0 110.576 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.7 p -89.82 -9.72 48.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.686 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 33.6 t-80 48.12 25.68 0.87 Allowed 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.632 0.254 . . . . 0.0 111.489 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -109.58 -60.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.714 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.501 HG21 ' HB2' ' A' ' 116' ' ' CYS . 82.5 m -63.12 116.64 5.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -95.26 130.37 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.184 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 114' ' ' LYS . 4.1 m-85 -63.92 161.66 15.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.774 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.77 165.71 11.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.432 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.2 t70 67.38 -63.47 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -169.54 -41.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.871 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 26.6 p -141.83 140.99 33.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.512 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -89.45 -135.1 5.53 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.092 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.567 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 50.0 m80 -96.45 130.01 43.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.739 0.304 . . . . 0.0 110.57 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.81 135.35 54.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.38 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.9 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 36.3 t -54.75 127.11 26.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.992 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 131' ' ' MET . 32.7 t -58.59 -18.3 28.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.383 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -111.38 -72.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 0.0 111.595 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.08 -24.71 59.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.641 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 69.11 7.01 5.98 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.539 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.0 m -66.45 146.13 54.89 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.724 0.297 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 81.0 mttt -86.72 110.73 20.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.452 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.3 p90 -128.63 163.43 25.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.182 0.515 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.501 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.1 p -86.76 171.56 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.075 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -94.5 -16.73 23.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 82.4 m -108.25 34.41 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.106 0.479 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.2 170.33 38.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.274 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -130.67 154.11 20.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -89.04 142.42 27.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.829 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.12 110.61 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.1 p -91.89 129.99 37.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.737 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 129' ' ' LYS . 49.0 mt -93.6 177.27 6.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.472 ' N ' ' NE ' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -52.23 -71.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.39 -179.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.7 t -49.17 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.225 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -178.1 33.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.35 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 129' ' ' LYS . 12.8 mptt -86.52 111.66 20.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.975 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.2 t -94.98 114.15 30.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.366 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.421 ' HB3' ' HB2' ' A' ' 109' ' ' SER . 38.3 mtt -136.2 141.36 44.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 23.6 m95 -99.8 151.32 21.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.514 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 137' ' ' CYS . 43.1 t -127.36 120.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.473 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 26.2 p -61.88 155.2 23.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.422 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 95.1 m-20 -53.48 -19.56 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.128 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.84 -33.67 27.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.462 ' HB2' HG13 ' A' ' 133' ' ' VAL . 55.5 m -89.3 -34.17 16.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.479 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.447 ' N ' ' CG1' ' A' ' 133' ' ' VAL . 45.9 ttp180 -61.97 -41.85 98.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.57 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 139' ' ' LYS . 1.3 tmtp? -81.2 -56.89 3.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -50.69 -25.89 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 9.8 tt0 -111.22 18.36 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.873 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.892 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.9 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -107.05 100.64 10.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.017 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -155.28 83.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -176.99 -41.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.38 145.91 7.73 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.625 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -122.89 112.99 18.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.84 159.79 84.46 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.461 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 2.5 Cg_endo -83.67 134.67 6.54 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.126 2.55 . . . . 0.0 111.24 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.423 ' O ' ' CZ ' ' A' ' 100' ' ' PHE . 6.1 p -136.64 153.76 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.894 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 37.7 t -74.32 137.08 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.609 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.29 20.67 15.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.583 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 115' ' ' PHE . 4.9 mp -127.06 -69.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.327 . . . . 0.0 110.5 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -89.0 -12.82 40.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.305 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 65.3 m80 50.96 32.84 7.93 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.441 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -117.2 -61.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.966 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 116' ' ' CYS . 99.8 m -62.74 119.66 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.275 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -94.88 128.65 41.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.494 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.492 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 -61.09 -175.11 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.7 -160.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -47.65 -31.34 4.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.78 -118.95 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.348 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.2 p -97.04 151.16 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.773 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.492 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -91.96 -122.31 2.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.621 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.463 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 29.3 m80 -96.22 121.0 37.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.192 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -112.23 135.26 53.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 28.8 t -56.42 123.89 16.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' A' ' 131' ' ' MET . 69.6 p -58.56 -18.35 28.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -107.71 -73.75 0.68 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.427 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 m -58.71 -25.54 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 73.52 3.72 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.4 m -66.48 144.16 56.65 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.909 0.385 . . . . 0.0 111.153 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 31.2 mtmm -86.17 112.34 21.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.723 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.459 ' HB3' HD11 ' A' ' 94' ' ' ILE . 3.5 p90 -125.9 162.77 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.189 0.519 . . . . 0.0 111.496 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.502 ' HB2' HG21 ' A' ' 98' ' ' THR . 30.7 p -87.49 171.36 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.899 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.67 25.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.677 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.44 -17.38 22.54 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.8 29.46 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.0 0.429 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.437 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.83 167.06 36.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.398 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.52 171.13 22.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.778 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -88.15 132.78 34.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.8 t -134.88 110.97 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.3 t -92.88 138.97 31.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.98 48.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 69.27 -62.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.4 p -63.53 -158.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.235 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -92.46 22.71 4.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.623 0.249 . . . . 0.0 111.276 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -86.41 107.48 18.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.5 t -94.57 117.2 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.261 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.452 ' HB3' ' HB3' ' A' ' 109' ' ' SER . 37.7 mtt -137.86 141.33 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.463 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 20.3 m95 -100.2 142.43 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.301 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.531 HG12 ' HB2' ' A' ' 137' ' ' CYS . 16.5 t -124.96 126.13 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.4 p -60.15 155.02 18.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.19 0.519 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.7 m-20 -54.32 -19.16 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.964 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.1 -33.25 29.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.531 ' HB2' HG12 ' A' ' 133' ' ' VAL . 23.3 m -89.54 -35.76 15.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.326 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -63.21 -36.08 82.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.976 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 135' ' ' ASN . 56.1 mtmt -90.25 -33.41 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -74.16 -25.97 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -85.23 -9.26 57.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.813 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.898 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.894 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -85.06 78.82 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -75.21 -36.38 61.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -107.32 150.78 26.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 123.78 136.47 4.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.255 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -80.82 112.69 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.958 0.409 . . . . 0.0 110.941 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.01 161.96 76.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.0 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo -83.57 135.6 7.05 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.071 2.514 . . . . 0.0 111.323 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.2 p -133.47 149.84 51.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.497 0.665 . . . . 0.0 112.73 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.895 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 52.9 t -72.45 136.64 46.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.456 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.02 11.99 51.79 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.804 -0.713 . . . . 0.0 113.413 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.3 mp -119.31 -69.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.831 0.348 . . . . 0.0 110.761 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.8 p -88.67 -10.12 49.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.633 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.1 m80 48.66 25.64 1.03 Allowed 'General case' 0 C--N 1.335 -0.041 0 CA-C-O 120.736 0.303 . . . . 0.0 111.397 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -112.92 -58.14 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 116' ' ' CYS . 96.9 m -63.12 111.82 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.198 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -94.36 126.89 39.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.228 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 -59.6 168.49 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.56 -72.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.39 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.91 80.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.05 -84.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.619 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.8 t -145.26 106.34 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 111.075 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -65.78 -134.81 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.494 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.493 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 39.7 m80 -96.14 118.23 32.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.327 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -106.81 135.22 48.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.308 -179.012 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 37.6 t -56.32 125.21 20.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.921 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.1 t -58.75 -17.75 25.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 -75.17 0.64 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 111.366 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 6.3 m -59.61 -24.66 63.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 71.1 mm-40 73.09 4.91 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 84.9 m -66.41 142.38 57.61 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 110.89 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 33.1 mtmt -84.76 108.43 17.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.754 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -123.48 163.82 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.171 0.51 . . . . 0.0 111.397 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.7 p -86.52 169.52 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.714 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.795 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -94.45 -16.85 23.01 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 65.7 m -107.5 31.54 5.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.069 0.462 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -179.8 167.08 36.65 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.125 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 138' ' ' ARG . . . -115.07 153.82 17.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.835 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 69.0 ttt180 -88.67 133.05 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.2 t -131.34 71.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.065 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.4 p -93.81 122.42 36.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.6 mm? -93.52 168.04 11.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.635 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -92.68 40.66 1.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.6 m -144.27 28.33 1.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.702 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.6 m120 66.04 63.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -152.68 93.54 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.318 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.87 117.01 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.826 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mtm -137.83 142.98 40.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.085 0.469 . . . . 0.0 111.542 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.493 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 41.2 m95 -114.09 135.01 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 38.8 t -119.03 130.86 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.7 p -64.53 155.97 31.28 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.193 0.521 . . . . 0.0 111.324 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.9 m-20 -52.62 -21.37 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.08 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mt -82.9 -33.7 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 110.791 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.472 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 41.6 m -89.26 -36.1 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.41 ' HD3' ' HA3' ' A' ' 121' ' ' GLY . 56.1 ttp180 -62.72 -40.97 98.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.88 -48.64 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.75 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -75.62 -21.55 57.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 137' ' ' CYS . 61.5 tt0 -78.55 -18.14 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.379 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.411 ' OXT' ' HG3' ' A' ' 142' ' ' GLU . 11.9 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.883 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.895 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -94.7 -15.29 24.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.431 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 73.19 -63.12 0.45 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.686 0.279 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.88 112.9 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.649 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.91 -29.73 0.82 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.311 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -105.23 117.15 33.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.714 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -69.91 168.54 17.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.465 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.4 Cg_exo -81.55 130.06 6.77 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.167 2.578 . . . . 0.0 111.178 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.7 p -137.54 147.23 44.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.506 0.67 . . . . 0.0 112.725 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.894 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 41.3 t -69.08 138.4 54.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.947 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.61 19.44 28.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.201 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.7 mp -126.4 -68.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -90.27 -11.0 42.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.498 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 48.26 28.71 1.67 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.72 0.295 . . . . 0.0 111.492 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -113.63 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.7 m -63.02 114.62 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.0 mtmm -94.22 124.64 38.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.455 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.0 m-85 -59.63 173.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.903 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -137.41 170.31 16.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.36 20.82 10.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.21 -62.46 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.806 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.7 m -143.92 159.44 42.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 111.074 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -98.76 -127.09 5.77 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.079 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -100.0 116.75 32.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.903 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.25 131.79 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.7 t -55.16 125.88 22.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.489 ' OG ' HG22 ' A' ' 133' ' ' VAL . 81.1 p -63.31 -13.06 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.17 -81.93 0.51 Allowed 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.7 p -74.89 -0.24 17.89 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 25.9 mm-40 64.5 14.38 8.86 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.9 m -64.13 131.37 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.703 0.287 . . . . 0.0 110.699 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -83.11 109.64 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.512 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 7.2 p90 -127.26 163.93 22.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 111.785 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.3 p -86.36 171.76 10.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.711 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.47 58.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.404 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 14.6 ptp180 -95.58 -11.94 26.5 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.3 m -108.26 33.0 4.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.389 . . . . 0.0 111.304 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -166.09 -154.18 8.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.422 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 138' ' ' ARG . . . -150.32 151.45 23.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.819 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -89.53 130.23 35.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.711 0.291 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 42.4 t -136.1 98.66 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.386 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.0 t -94.14 128.86 40.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.859 0.361 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.44 HD21 ' CE ' ' A' ' 131' ' ' MET . 80.4 mt -94.06 -178.56 4.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -84.96 -18.33 34.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.397 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.3 m -91.79 25.4 2.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.277 . . . . 0.0 111.321 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 60.98 16.24 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.434 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -87.9 117.38 26.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.758 0.313 . . . . 0.0 110.791 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.1 t -94.31 122.96 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.296 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 125' ' ' LEU . 25.5 ptt? -137.38 150.3 47.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.608 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -124.07 145.72 49.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.34 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.489 HG22 ' OG ' ' A' ' 109' ' ' SER . 87.5 t -125.26 126.58 71.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.512 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 27.3 p -60.51 154.05 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.288 0.566 . . . . 0.0 111.402 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 3.8 m-20 -54.21 -18.27 3.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.247 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.83 -37.57 29.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 98.5 m -89.12 -35.03 16.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.302 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.401 ' HD3' ' HA3' ' A' ' 121' ' ' GLY . 56.7 ttp180 -62.1 -35.24 78.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -71.15 -32.42 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -110.79 26.61 10.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.22 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.894 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 61.57 172.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -140.06 39.7 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.759 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -166.89 152.65 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.75 40.13 1.04 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.46 115.28 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 111.009 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.06 162.36 72.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 100' ' ' PHE . 1.4 Cg_endo -83.81 128.58 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.354 2.703 . . . . 0.0 111.363 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.0 p -136.4 152.3 50.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 112.971 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.899 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.7 t -77.41 135.16 38.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.413 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.98 9.24 57.63 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.343 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -115.3 -70.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.743 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -88.71 -14.95 36.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.665 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 57.8 t-80 53.67 22.12 2.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -107.41 -59.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.534 HG21 ' HB2' ' A' ' 116' ' ' CYS . 79.5 m -63.22 113.07 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 9.2 mtmp? -96.48 121.82 38.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.33 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.535 ' CG ' ' HA3' ' A' ' 105' ' ' GLY . 3.2 m-85 -57.69 -171.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.13 127.62 46.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.928 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 64.83 21.74 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.287 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 90' ' ' PRO . . . 60.31 51.6 57.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.877 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.2 m -146.4 49.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.612 0.244 . . . . 0.0 111.473 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.535 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -61.45 -164.21 0.27 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.745 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 77.9 m-70 -97.31 117.57 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.68 130.29 52.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.021 0.438 . . . . 0.0 111.364 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.898 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.6 t -54.71 123.64 13.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.0 t -58.95 -17.46 24.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.182 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -106.86 -74.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.835 0.35 . . . . 0.0 111.383 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.7 m -60.34 -24.83 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.481 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 63.4 mm-40 74.3 2.77 4.21 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.1 m -66.91 141.61 57.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.22 118.34 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.2 p90 -131.48 163.52 27.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.415 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.534 ' HB2' HG21 ' A' ' 98' ' ' THR . 26.7 p -86.68 171.84 10.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.16 -16.96 23.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.404 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -94.1 -19.66 20.61 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 57.9 m -104.7 23.9 12.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.367 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -178.48 -178.28 47.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.601 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -145.74 164.28 28.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.562 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -89.73 140.31 29.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.4 t -135.74 108.92 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.8 t -92.49 134.4 35.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.429 ' HG ' ' CE ' ' A' ' 131' ' ' MET . 40.3 mt -93.01 -24.04 18.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.988 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 127' ' ' SER . 15.8 ptm180 -152.94 -51.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.302 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 38.7 t 176.66 -70.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -72.68 -22.11 60.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.337 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.93 91.25 8.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.693 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 23.4 t -99.51 120.64 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.913 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.429 ' CE ' ' HG ' ' A' ' 125' ' ' LEU . 2.8 mpp? -135.2 139.2 44.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.272 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 33.0 m95 -99.27 151.65 20.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.461 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 45.4 t -134.61 123.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.747 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.4 p -58.93 155.56 13.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.234 0.54 . . . . 0.0 111.431 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -56.08 -17.39 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.043 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.9 mt -82.99 -32.88 26.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.0 110.401 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 55.6 m -89.15 -41.39 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.386 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -63.05 -33.15 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.689 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -85.23 -56.29 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -52.49 -28.49 20.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 35.9 tt0 -80.94 -6.58 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.579 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.899 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.898 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -177.47 -59.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 63.31 134.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -133.07 118.25 18.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.7 116.15 4.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.604 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -133.41 124.09 26.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.796 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.71 166.59 35.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.485 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.511 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 5.5 Cg_exo -79.44 158.83 25.8 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.353 2.702 . . . . 0.0 111.693 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 p -136.15 156.09 49.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.551 0.691 . . . . 0.0 112.754 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.891 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.7 t -79.21 123.2 27.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.375 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.431 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -73.37 0.98 45.43 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.505 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -101.32 -72.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.892 0.346 . . . . 0.0 110.646 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.6 p -90.66 -14.29 32.59 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' CYS . 82.4 m-70 59.88 26.75 16.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.712 0.291 . . . . 0.0 111.309 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -113.76 -65.19 1.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.558 HG21 ' HB2' ' A' ' 116' ' ' CYS . 68.3 m -63.2 119.45 9.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -94.93 140.35 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.944 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.8 m-85 -70.92 172.16 9.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.33 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.631 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -171.54 47.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 176.55 -76.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.1 p -143.16 120.18 11.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.887 0.375 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -81.97 -133.22 1.65 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.541 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -95.43 126.85 41.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.719 0.295 . . . . 0.0 110.331 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -113.42 131.21 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 111.432 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.898 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.6 t -55.04 124.95 18.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.1 t -58.71 -18.53 32.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -107.45 -74.64 0.65 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.4 m -58.13 -25.67 61.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.619 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 70.8 mm-40 72.63 3.89 4.82 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.469 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.7 m -68.38 146.69 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 120.704 0.287 . . . . 0.0 111.088 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -86.06 111.73 20.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.524 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 4.4 p90 -125.01 163.15 22.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.081 0.467 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.558 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.9 p -87.07 168.47 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.998 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.26 -19.68 15.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.552 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -92.79 -13.48 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 94' ' ' ILE . 24.5 m -107.38 25.73 11.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.8 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.76 -167.2 32.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.32 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -147.32 156.36 26.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.656 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 62.2 ttp180 -88.51 131.0 35.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.763 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.449 HG12 HD21 ' A' ' 125' ' ' LEU . 47.2 t -134.87 90.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.383 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -93.26 113.95 26.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.623 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.5 mm? -93.46 -175.51 3.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.057 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 128' ' ' ASN . 31.6 ptt180 -52.14 171.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.297 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 40.4 t 60.74 -79.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.326 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 126' ' ' ARG . 1.2 m-20 174.67 38.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.792 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -85.7 94.39 9.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.5 t -95.11 112.03 26.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.6 ptp -140.03 140.14 36.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.136 0.494 . . . . 0.0 110.997 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 122' ' ' ARG . 23.9 m95 -103.2 142.38 34.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.214 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 137' ' ' CYS . 34.8 t -123.96 122.91 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.3 154.55 13.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.283 0.563 . . . . 0.0 111.33 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 4.6 m-20 -54.87 -19.25 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.868 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.68 -31.23 32.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.465 ' HB2' HG12 ' A' ' 133' ' ' VAL . 50.0 m -89.47 -35.33 16.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.75 -35.6 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -90.68 -30.73 16.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -75.45 -24.17 56.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.42 21.85 7.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.073 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.891 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.898 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.682 0.277 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -104.02 89.47 3.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.818 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -126.94 124.51 39.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.794 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -136.43 30.49 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.925 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.69 -135.89 4.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -134.22 120.68 20.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.84 160.06 83.34 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB2' ' CB ' ' A' ' 100' ' ' PHE . 4.3 Cg_endo -84.62 126.78 3.58 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.309 2.673 . . . . 0.0 111.3 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -135.39 145.09 46.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.893 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.7 t -66.85 130.66 43.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.789 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.529 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -75.77 1.16 59.43 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.455 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.1 mp -109.31 -73.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.739 0.27 . . . . 0.0 111.443 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.9 p -87.07 -12.55 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.762 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 36.8 t-80 51.23 27.71 3.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.725 0.298 . . . . 0.0 111.272 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -109.03 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.2 m -63.5 114.73 4.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.077 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 63.2 mttp -95.98 123.3 39.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.271 179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.4 m-85 -57.72 -175.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.69 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 90' ' ' PRO . . . -74.85 -172.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.199 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.94 -38.33 61.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.54 -103.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.9 m -143.15 143.79 31.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -80.67 -128.92 0.84 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.455 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 94.8 m-70 -99.92 125.56 45.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -113.94 129.17 56.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.904 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 36.8 t -54.08 126.15 21.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.236 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 t -63.98 -12.19 35.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.404 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.9 m-85 -103.6 -78.34 0.55 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.33 5.38 14.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 1.8 mp0 58.52 16.13 4.03 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.2 m -64.38 129.43 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 110.838 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -82.5 109.32 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.233 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 5.5 p90 -127.83 164.62 21.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.263 0.554 . . . . 0.0 111.737 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.27 166.54 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.496 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -17.4 15.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.953 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 11.0 mtp-105 -95.15 -12.46 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.8 m -112.39 29.88 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -163.68 -170.16 28.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.99 150.02 19.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.802 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -88.41 124.0 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 110.798 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.4 t -137.08 94.62 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.288 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.8 m -93.43 147.96 22.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.62 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 125' ' ' LEU . 5.2 mp -92.62 43.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 51.61 35.36 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 128' ' ' ASN . 47.4 t -162.35 -165.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.428 ' N ' ' OG ' ' A' ' 127' ' ' SER . 16.1 m120 -71.82 -9.57 58.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.44 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.24 99.34 10.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.1 t -96.51 137.23 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.516 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 43.8 mtt -134.23 144.36 48.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.683 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.455 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 46.3 m95 -123.88 141.32 52.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.0 t -130.27 126.03 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.61 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 32.0 p -58.2 151.13 19.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.531 . . . . 0.0 111.369 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -54.22 -17.71 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.476 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.28 -36.59 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 51.2 m -85.57 -38.04 18.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.09 -38.72 92.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.655 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -65.0 -55.12 20.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.82 -23.19 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -95.8 -4.81 43.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.658 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.893 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.904 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 11.2 pt20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 20.7 mm-40 -77.31 75.74 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -101.87 98.44 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -154.19 99.69 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.736 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.99 -115.07 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.706 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.47 134.6 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 111.135 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -70.79 167.32 28.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.05 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.1 Cg_endo -84.2 130.76 4.81 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.245 2.63 . . . . 0.0 111.354 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -135.37 149.22 49.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.552 0.691 . . . . 0.0 112.641 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 50.0 t -70.67 135.9 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.471 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.89 9.02 55.03 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.398 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.2 mp -117.83 -72.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.2 p -88.08 -6.78 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.885 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 28.5 p80 44.98 27.61 0.3 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -110.61 -56.81 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.5 HG21 ' HB2' ' A' ' 116' ' ' CYS . 86.6 m -63.11 113.53 3.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.026 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 23.6 mtpp -94.1 119.03 32.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.511 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.0 m-85 -57.6 179.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 90' ' ' PRO . . . -69.91 -169.66 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.275 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -54.61 -39.85 68.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.79 -97.76 0.67 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.748 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.5 p -143.27 149.92 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -84.33 -135.01 2.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.909 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.551 ' CE1' ' CZ2' ' A' ' 132' ' ' TRP . 88.4 m-70 -97.7 124.6 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 110.596 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -113.93 134.08 55.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 27.4 t -55.23 122.73 11.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.1 t -58.94 -17.54 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.139 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.25 -74.98 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.579 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.4 m -59.33 -24.89 63.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.59 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 75.44 2.48 3.83 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.4 m -65.71 141.99 58.17 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.9 112.73 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -128.44 162.96 25.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.279 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.5 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.7 p -86.95 170.87 11.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.75 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.19 -15.34 23.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.702 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -93.52 -17.65 23.15 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.403 ' HA ' ' ND2' ' A' ' 135' ' ' ASN . 88.4 m -109.22 35.69 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.84 -153.52 10.86 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.213 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.66 152.63 23.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.042 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -86.26 144.43 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.662 0.268 . . . . 0.0 110.781 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.429 ' HB ' ' HG3' ' A' ' 131' ' ' MET . 42.8 t -134.76 114.14 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.8 t -94.03 114.71 26.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.479 HD11 ' CE ' ' A' ' 131' ' ' MET . 60.5 mt -92.55 -71.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 128' ' ' ASN . 75.8 mtm180 -142.59 75.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.3 p 54.64 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.874 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 126' ' ' ARG . 3.3 p-10 -83.16 50.78 1.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -156.06 90.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.585 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 t -110.42 130.92 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.087 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.479 ' CE ' HD11 ' A' ' 125' ' ' LEU . 12.4 ptp -141.52 139.5 33.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.394 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.551 ' CZ2' ' CE1' ' A' ' 106' ' ' HIS . 40.8 m95 -105.83 149.66 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.84 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 40.0 t -132.76 123.58 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.616 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 18.7 p -60.77 155.62 18.93 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.226 0.536 . . . . 0.0 111.797 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 119' ' ' CYS . 93.8 m-20 -55.38 -18.64 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.019 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.93 -32.35 34.66 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 110.145 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.474 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 56.0 m -88.9 -36.86 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.06 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.01 -30.11 71.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.636 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -88.63 -51.3 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.18 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -96.16 21.12 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.082 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -148.6 135.72 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -89.89 143.81 26.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.999 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -156.06 121.52 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.38 18.73 8.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.695 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -135.14 112.86 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -72.68 169.59 16.64 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 3.1 Cg_exo -82.0 125.24 4.66 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 123.118 2.545 . . . . 0.0 110.464 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 p -133.41 146.87 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.895 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 45.4 t -69.06 138.39 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.513 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.1 14.29 44.98 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.481 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.6 mp -121.8 -69.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 4.4 p -89.33 -8.36 53.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.649 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 95' ' ' CYS . 16.4 p80 44.84 27.56 0.28 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.663 0.268 . . . . 0.0 111.662 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -113.09 -58.14 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 116' ' ' CYS . 77.4 m -63.27 115.0 4.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.994 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 51.9 mttp -93.32 126.31 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.342 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 10.3 m-85 -54.75 169.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.811 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.11 -67.91 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.78 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 178.73 37.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 164.53 77.39 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 53.6 t 62.2 119.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.839 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -92.55 -121.7 2.97 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.633 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 30.3 m80 -95.76 124.58 39.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.782 0.325 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -113.43 134.12 54.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.907 ' HG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.7 t -56.76 123.51 15.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.754 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 132' ' ' TRP . 46.6 t -59.53 -16.97 28.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.955 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -105.18 -75.3 0.63 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.884 0.374 . . . . 0.0 111.458 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 4.8 m -61.81 -23.97 66.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.718 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 19.3 mm-40 74.12 3.81 4.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.345 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 88.9 m -66.44 146.49 54.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.871 0.367 . . . . 0.0 111.202 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -86.73 113.34 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.491 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.4 p90 -126.96 163.08 24.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.221 0.534 . . . . 0.0 111.462 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.567 ' HB2' HG21 ' A' ' 98' ' ' THR . 31.4 p -87.37 171.59 10.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.681 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.71 -18.61 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -96.33 -14.49 22.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 57.9 m -109.16 33.57 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -172.13 -157.77 14.76 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.373 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -157.4 160.3 30.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.641 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -88.44 130.89 35.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.731 0.301 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.9 t -128.04 92.68 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.441 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.3 m -94.16 132.03 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.89 -46.62 7.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -139.15 -71.55 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.9 m -164.62 -44.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -100.69 34.58 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.287 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -151.59 90.79 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.951 0.405 . . . . 0.0 111.14 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.6 t -101.87 129.37 53.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.249 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 41.4 mtt -134.46 139.11 45.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.164 0.507 . . . . 0.0 110.858 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.558 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 56.8 m95 -107.57 139.64 41.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.158 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 92.4 t -130.2 127.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.421 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 25.0 p -58.15 153.8 14.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.294 0.568 . . . . 0.0 111.741 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -54.78 -18.95 5.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.985 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.65 -33.59 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.179 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 23.3 m -89.25 -36.22 15.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.207 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -62.43 -34.82 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.697 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -87.0 -48.63 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -54.04 -23.97 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -106.25 0.5 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.716 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.994 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.895 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.907 'ZN ' ' HG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.62 126.88 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -125.58 138.85 53.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -106.69 58.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.75 57.91 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.433 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -132.04 116.17 16.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.758 0.313 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.6 163.15 66.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 6.3 Cg_endo -85.13 132.29 4.48 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.143 2.562 . . . . 0.0 111.087 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 p -137.09 148.17 46.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.888 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 44.9 t -69.57 138.14 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.185 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 114' ' ' LYS . . . -86.55 15.27 52.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.558 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.8 mp -124.3 -56.79 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.939 0.399 . . . . 0.0 110.74 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.67 -26.28 24.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 60.61 22.9 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.513 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -130.63 -46.35 1.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.702 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.9 m -63.14 111.55 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 17.8 mtpp -93.98 128.33 40.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.854 0.359 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 6.6 m-85 -62.04 79.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 99' ' ' LYS . . . 49.34 -89.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.689 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' PHE . 6.9 m-20 -159.18 32.35 0.2 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.698 0.285 . . . . 0.0 111.033 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.34 -85.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.798 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 69.7 m -141.7 141.81 33.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.956 0.408 . . . . 0.0 110.933 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -104.36 -132.35 7.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.592 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.8 127.15 42.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.704 0.288 . . . . 0.0 110.322 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -112.17 127.73 56.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.7 t -54.77 124.22 15.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 47.4 t -63.76 -12.23 33.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.639 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.413 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 97.0 m-85 -102.75 -79.23 0.53 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.9 p -79.98 5.03 15.09 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.9 mp0 59.88 14.72 4.41 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.3 m -65.73 133.38 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 93.6 mttt -84.13 114.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.111 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 11.5 p90 -131.17 163.5 27.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.116 0.484 . . . . 0.0 111.35 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.6 p -86.27 167.64 14.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.687 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.42 -17.45 8.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.122 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -93.66 -14.67 26.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 94.4 m -110.21 38.6 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 111.254 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 177.71 166.86 34.99 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.4 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -119.3 159.01 14.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -88.41 140.61 29.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.67 85.67 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.0 p -92.25 111.42 22.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.3 mt -95.08 34.14 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.774 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 60.15 155.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.794 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.1 m 63.97 -173.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.646 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -67.25 69.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -150.44 95.42 2.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.7 t -125.0 121.41 60.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.382 . . . . 0.0 111.387 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.404 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 18.6 ptp -141.36 142.11 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.776 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -108.92 149.71 28.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.564 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.2 125.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.7 p -60.91 155.56 19.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.604 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.78 -15.58 8.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.218 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.29 -35.51 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 110.671 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 92.0 m -89.36 -34.06 16.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -63.71 -38.5 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.022 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.01 -55.04 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -55.01 -22.64 16.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.285 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 141' ' ' GLN . 36.0 tt0 -104.94 -0.27 27.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.741 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.973 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.888 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -99.64 67.96 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 57.83 76.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -69.26 101.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 145.76 55.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.98 119.62 39.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -70.18 173.25 4.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.753 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.53 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 5.8 Cg_exo -81.18 129.69 6.91 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 123.134 2.556 . . . . 0.0 111.227 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.6 p -134.83 149.74 50.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 0.0 112.703 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 51.9 t -73.16 136.44 44.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.594 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.15 12.32 50.7 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.344 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -119.56 -69.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 p -88.78 -11.05 46.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.763 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.3 m80 49.78 24.67 1.31 Allowed 'General case' 0 N--CA 1.46 0.062 0 CA-C-O 120.756 0.312 . . . . 0.0 111.465 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -112.24 -59.02 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 116' ' ' CYS . 88.8 m -63.12 109.47 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.6 mtpt -93.14 122.91 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.508 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 3.5 m-85 -55.52 163.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.684 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.13 -177.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.852 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.98 85.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.59 -106.47 0.32 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.657 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.9 p -143.45 127.63 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.077 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -73.41 -133.57 0.22 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.649 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.407 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 80.5 m-70 -97.11 125.88 41.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -112.9 128.82 56.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.151 0.501 . . . . 0.0 111.018 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 35.6 t -55.31 124.99 18.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 132' ' ' TRP . 47.6 t -64.19 -11.64 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.778 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 96.7 m-85 -105.64 -79.21 0.56 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.4 p -77.67 2.27 17.26 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 110' ' ' TYR . 1.7 mp0 62.9 12.83 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.5 m -65.01 133.62 52.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 111.053 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 88.6 mttt -83.27 114.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.147 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CE2' ' N ' ' A' ' 134' ' ' CYS . 8.9 p90 -131.72 163.62 27.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.196 0.522 . . . . 0.0 111.771 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.3 p -86.84 168.18 13.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.472 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.31 -16.97 16.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.802 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -93.49 -16.98 23.93 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 59.9 m -108.04 37.6 2.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.039 0.447 . . . . 0.0 110.877 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.6 -156.83 16.34 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.292 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.26 155.89 26.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.601 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -87.26 127.46 35.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 110.654 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.9 t -131.78 100.19 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.1 t -92.72 139.66 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.49 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.412 HD11 ' CE ' ' A' ' 131' ' ' MET . 66.7 mt -92.93 17.59 10.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.377 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 48.79 25.86 1.13 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.716 0.293 . . . . 0.0 111.026 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.2 t -132.17 36.45 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.034 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.5 m120 60.09 47.06 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -153.18 125.25 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.9 t -108.77 135.64 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.677 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.412 ' CE ' HD11 ' A' ' 125' ' ' LEU . 18.1 ptp -141.66 139.0 32.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.555 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' SER . 45.0 m95 -109.83 140.25 43.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.347 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 64.3 t -129.67 128.91 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.822 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.501 ' N ' ' CE2' ' A' ' 115' ' ' PHE . 31.6 p -58.87 153.18 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 0.0 111.14 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -57.15 -16.07 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.057 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.4 mt -82.0 -35.3 29.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.685 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.441 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 57.7 m -89.41 -36.82 15.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -62.99 -37.68 88.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -88.39 -50.6 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 28.8 tt0 -53.01 -28.83 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.01 16.27 25.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.385 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.676 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.832 0.348 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -96.43 150.42 20.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -154.58 -54.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.197 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -87.8 -42.37 12.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.146 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.02 -177.83 47.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.672 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -89.73 135.25 33.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.43 165.46 44.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.499 ' HB2' ' CD2' ' A' ' 100' ' ' PHE . 2.1 Cg_endo -83.95 141.83 9.67 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.22 2.613 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.6 p -139.42 152.42 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 38.3 t -74.28 134.55 42.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.401 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.34 8.57 60.88 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.622 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.1 mp -117.01 -56.03 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.9 m -84.91 -25.27 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 54.1 t-80 61.65 18.6 9.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.11 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -132.67 -43.71 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 0.0 110.788 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.515 HG21 ' CB ' ' A' ' 116' ' ' CYS . 74.6 m -62.6 108.44 1.14 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 48.8 mttp -94.27 132.98 38.29 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 5.2 m-85 -71.75 60.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.196 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.83 -158.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.59 0.233 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.83 49.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 0.0 110.903 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 90' ' ' PRO . . . -161.6 -113.22 0.3 Allowed Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.72 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.0 p -143.49 139.59 29.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.499 ' HA3' ' CG ' ' A' ' 100' ' ' PHE . . . -93.04 -136.76 7.9 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.039 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 39.0 m80 -99.78 132.35 45.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.311 . . . . 0.0 110.793 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.79 126.6 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.097 0.475 . . . . 0.0 110.703 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 34.3 t -54.44 125.98 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.736 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 132' ' ' TRP . 31.2 t -63.73 -12.99 39.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.672 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 141' ' ' GLN . 93.0 m-85 -104.57 -84.11 0.49 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.91 -4.57 25.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 72.6 mm-40 67.19 10.1 7.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 m -65.02 133.94 52.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.291 . . . . 0.0 110.926 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 90.7 mttt -83.18 117.97 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 6.2 p90 -128.24 163.39 24.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.526 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.515 ' CB ' HG21 ' A' ' 98' ' ' THR . 31.6 p -86.97 171.98 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.71 -19.47 16.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.602 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -94.69 -16.13 23.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 65.1 m -107.93 29.03 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.488 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . 179.84 163.22 30.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.787 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -126.08 165.32 19.31 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.378 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 68.8 ttp85 -88.91 133.21 34.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.0 t -129.72 92.63 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 87.4 p -91.5 113.71 26.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.793 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.458 HD11 ' CE ' ' A' ' 131' ' ' MET . 90.5 mt -93.33 124.33 37.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.422 ' O ' ' ND2' ' A' ' 128' ' ' ASN . 25.1 tpt180 69.66 14.59 8.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.492 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m 65.3 15.93 10.27 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 126' ' ' ARG . 48.0 m-80 -133.44 -43.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.97 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 129' ' ' LYS . 12.2 mptt -86.3 96.67 10.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.26 122.12 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.421 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.458 ' CE ' HD11 ' A' ' 125' ' ' LEU . 25.6 ptt? -141.05 142.05 34.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.851 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.568 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 35.5 m95 -102.84 137.79 40.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.318 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 66.5 t -131.78 134.0 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.717 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.1 p -59.85 151.92 24.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.145 0.498 . . . . 0.0 111.017 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -54.93 -18.55 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.131 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -81.48 -37.62 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 58.4 m -88.51 -34.77 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.071 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -63.37 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -84.49 -40.45 17.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.433 ' O ' ' NE2' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -66.24 -34.75 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.911 179.445 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 110' ' ' TYR . 2.1 mp0 -95.33 11.06 33.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.44 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.933 179.847 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 39.8 tt0 -150.73 123.29 8.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 17.2 pt20 45.86 -168.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.37 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -92.97 169.31 10.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.39 -168.25 0.21 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.639 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -110.17 145.8 36.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.59 163.59 62.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.456 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 3.4 Cg_endo -84.56 136.36 6.34 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.205 2.603 . . . . 0.0 111.232 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.0 p -139.32 146.39 40.25 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 48.4 t -64.54 133.69 52.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.67 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.09 3.62 61.04 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.93 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.2 mp -114.92 -55.88 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.02 -23.98 28.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 57.05 22.03 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -129.77 -48.44 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.401 . . . . 0.0 110.751 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.8 m -62.8 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.353 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 32.1 mtmm -94.22 130.01 40.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.949 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 13.1 m-85 -63.86 163.72 11.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.853 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 103' ' ' GLY . . . -97.95 162.66 13.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.44 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 t70 64.69 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.416 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 101' ' ' ALA . . . -163.62 -41.92 0.02 OUTLIER Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.011 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.1 p -138.65 126.13 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -80.33 -126.33 0.64 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.578 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 66.3 m80 -98.83 124.9 44.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.937 0.398 . . . . 0.0 110.483 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -113.3 129.38 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.83 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.904 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 25.4 t -54.77 124.0 15.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.53 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' HG22 ' A' ' 133' ' ' VAL . 96.2 p -63.33 -13.44 39.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.496 ' CE1' ' NE2' ' A' ' 141' ' ' GLN . 97.3 m-85 -103.1 -82.2 0.49 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.9 p -77.58 3.63 13.25 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 27.1 mp0 62.5 12.48 5.44 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.7 m -64.31 127.57 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 0.0 110.765 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -81.5 112.09 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.494 . . . . 0.0 110.24 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 9.2 p90 -124.84 163.67 21.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.618 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.2 p -86.7 170.94 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.368 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.41 -19.11 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.841 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.43 -15.99 22.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 71.6 m -107.98 34.08 3.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.952 0.406 . . . . 0.0 111.489 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.464 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -177.14 177.95 48.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.23 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.92 155.23 23.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.87 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.501 ' HB2' ' CZ2' ' A' ' 132' ' ' TRP . 56.8 ttp180 -89.18 130.78 35.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 48.0 t -130.55 125.9 59.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.24 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.0 m -97.8 148.13 23.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -142.55 42.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 49.71 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.8 t 56.61 24.83 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.02 25.71 14.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -86.55 93.05 9.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.8 t -98.56 119.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.197 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' ' 109' ' ' SER . 44.7 mtp -140.39 153.99 46.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.999 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.563 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 18.8 m95 -115.21 143.74 44.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 137' ' ' CYS . 85.5 t -125.38 129.14 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.68 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 21.4 p -63.2 153.98 32.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.268 0.556 . . . . 0.0 111.287 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 120' ' ' GLY . 2.9 m-20 -54.38 -18.49 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.357 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.74 -38.39 28.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.039 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 133' ' ' VAL . 90.0 m -85.81 -33.9 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.988 0.423 . . . . 0.0 110.172 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.07 -32.14 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.882 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -90.75 -46.31 8.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -67.85 -32.76 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.496 ' NE2' ' CE1' ' A' ' 110' ' ' TYR . 19.8 pt20 -147.32 57.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.904 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.857 0.36 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.73 -60.78 2.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 61.74 123.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 55.75 69.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.88 80.91 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -58.24 125.78 24.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.994 0.426 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -70.49 173.37 4.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.836 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.53 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 2.0 Cg_endo -83.34 128.81 4.94 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.147 2.565 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 p -138.39 147.63 43.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.492 0.663 . . . . 0.0 112.784 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.895 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 43.5 t -68.65 135.49 51.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.632 178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.84 19.65 24.11 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.587 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 115' ' ' PHE . 4.6 mp -123.56 -67.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.5 p -88.71 -19.36 26.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 96' ' ' HIS . 13.5 t-160 56.13 37.84 29.25 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.053 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -126.28 -54.52 1.47 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.321 . . . . 0.0 111.118 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.2 m -63.61 118.76 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -97.08 123.88 40.95 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.501 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 12.3 m-85 -58.5 177.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.55 -82.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.759 0.314 . . . . 0.0 111.521 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -159.83 27.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.87 -79.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.571 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 26.8 p -144.02 116.33 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -77.26 -121.27 0.2 Allowed Glycine 0 C--N 1.329 0.146 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.571 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 41.2 m80 -96.28 120.84 37.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.497 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.2 m120 -113.57 133.68 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.9 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 33.4 t -55.02 125.64 21.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.563 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.1 t -58.74 -17.5 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -108.05 -72.44 0.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.88 0.371 . . . . 0.0 111.365 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.2 m -60.54 -24.43 65.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.518 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 82.3 mm-40 68.99 7.69 6.39 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.27 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 107' ' ' ASN . 62.7 m -67.13 143.96 56.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -85.0 110.29 18.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.734 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 4.4 p90 -126.97 163.48 23.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.241 0.544 . . . . 0.0 111.673 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.8 p -87.16 171.79 10.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.604 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.48 -13.12 26.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.972 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -95.53 -14.83 23.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.65 29.7 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 111.31 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.5 -177.27 41.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.326 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -139.55 153.57 23.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -87.9 128.34 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.52 124.11 61.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.9 t -91.05 132.7 35.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.438 HD11 ' SD ' ' A' ' 131' ' ' MET . 81.0 mt -93.64 -57.72 2.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.045 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -119.66 -65.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.7 m -159.96 -58.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.44 -13.02 18.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.63 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 129' ' ' LYS . 2.1 mptp? -83.21 92.03 7.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.003 0.43 . . . . 0.0 110.794 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.7 t -96.71 133.55 37.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.738 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.438 ' SD ' HD11 ' A' ' 125' ' ' LEU . 44.9 mtp -135.19 138.31 43.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.026 179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.534 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 29.3 m95 -101.51 136.95 40.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.957 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.6 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.655 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.6 p -58.13 152.5 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -54.01 -20.34 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.889 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 140' ' ' GLN . 11.1 mt -80.2 -32.96 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.031 0.443 . . . . 0.0 110.068 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.48 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 19.2 m -89.65 -28.42 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.138 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.66 -41.04 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -91.25 -44.55 9.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 53.6 tt0 -61.54 -33.39 73.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -117.35 16.67 14.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.465 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.213 179.853 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.895 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.9 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.707 0.289 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -67.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.966 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 63.94 110.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.754 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -100.06 -68.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.048 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.55 -144.25 3.9 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.608 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -132.62 124.35 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.497 ' HB1' ' CD ' ' A' ' 90' ' ' PRO . . . -69.49 171.25 7.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.497 ' CD ' ' HB1' ' A' ' 89' ' ' ALA . 1.2 Cg_endo -83.18 137.82 8.57 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 123.158 2.572 . . . . 0.0 111.387 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 p -137.54 148.58 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.896 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 47.6 t -71.51 138.0 48.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.618 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.92 59.99 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.494 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 94' ' ' ILE . 4.3 mp -121.38 -55.83 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.835 0.35 . . . . 0.0 110.755 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.74 -24.32 25.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 57.13 22.24 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -131.59 -49.22 0.97 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 52.4 m -62.83 108.05 1.11 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.259 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 33.6 mtmm -93.21 130.41 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.04 0.448 . . . . 0.0 110.586 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 7.2 m-85 -64.65 172.19 2.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.306 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.81 172.75 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.811 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 60.34 19.3 8.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.218 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.96 -57.08 0.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.691 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.9 t -143.67 154.43 43.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 111.189 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -95.76 -131.4 6.63 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.077 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.557 ' CD2' ' CE2' ' A' ' 132' ' ' TRP . 44.6 m80 -98.93 130.9 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.633 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.42 129.46 55.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.129 0.49 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.905 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 38.1 t -55.14 125.94 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.271 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' TRP . 23.8 t -62.94 -13.49 35.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.626 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.84 -84.0 0.48 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.9 p -71.69 -3.24 20.69 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 108' ' ' CYS . 27.2 mm-40 66.03 12.83 8.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 31.7 m -64.64 133.72 52.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 56.0 mttp -83.16 115.01 21.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CD2' ' HB3' ' A' ' 134' ' ' CYS . 5.5 p90 -128.83 163.22 25.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 118' ' ' ARG . 28.1 p -87.41 172.04 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.926 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.45 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.402 ' CG ' ' SG ' ' A' ' 116' ' ' CYS . 16.5 ptm180 -95.27 -11.76 27.37 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 55.2 m -104.71 31.83 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.267 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.493 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -169.66 -167.22 29.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.536 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -150.61 142.0 9.21 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.687 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.49 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 10.4 ptp85 -88.32 135.73 33.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.801 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 43.9 t -136.34 124.68 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.941 0.4 . . . . 0.0 111.484 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.6 m -107.34 114.71 28.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.715 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 125' ' ' LEU . 5.1 mp -94.33 -86.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.023 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 125' ' ' LEU . 89.4 mtm180 -159.71 167.89 27.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.6 m 55.69 30.64 15.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.618 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.24 33.16 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -85.54 89.1 7.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.972 0.415 . . . . 0.0 110.965 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.6 t -99.27 119.47 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.07 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -135.54 143.34 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.252 0.549 . . . . 0.0 110.849 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.557 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 37.9 m95 -106.08 137.46 43.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.305 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.86 131.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.67 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 29.4 p -59.01 150.08 25.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.024 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -54.22 -17.36 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.42 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 mt -82.31 -40.15 21.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.71 -37.92 22.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 0.0 110.298 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -64.24 -34.58 78.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.28 -55.27 3.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -50.8 -31.67 17.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.257 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -124.64 34.86 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.075 0.464 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.405 ' HG3' ' OXT' ' A' ' 142' ' ' GLU . 9.0 pt-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.021 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.896 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.905 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -142.8 105.59 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -169.2 67.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -113.91 -27.86 7.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.7 32.01 0.75 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.451 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -122.62 133.98 54.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.949 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.56 164.51 54.05 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' A' ' 100' ' ' PHE . 1.6 Cg_endo -83.52 127.73 4.49 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.225 2.616 . . . . 0.0 111.504 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 p -133.13 147.76 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.369 0.604 . . . . 0.0 112.468 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 292' ' ' ' ZN' . 43.6 t -70.61 130.26 41.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.463 179.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.515 ' C ' HD12 ' A' ' 94' ' ' ILE . . . -74.74 -0.36 59.06 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.341 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.685 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -108.31 -72.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.73 0.265 . . . . 0.0 111.439 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 p -87.5 -10.44 51.74 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.5 m80 49.87 24.98 1.43 Allowed 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.675 0.274 . . . . 0.0 111.496 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -108.07 -63.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 116' ' ' CYS . 81.8 m -63.31 117.15 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.034 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 60.3 mttp -94.8 123.38 38.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.252 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.504 ' CD1' ' HA3' ' A' ' 105' ' ' GLY . 4.4 m-85 -55.89 173.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLY . . . -122.35 165.67 15.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.285 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 67.97 -63.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.998 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 101' ' ' ALA . . . -168.72 -42.78 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.756 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.3 p -143.67 132.54 22.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.761 0.315 . . . . 0.0 110.796 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 100' ' ' PHE . . . -79.84 -132.59 0.99 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.848 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.422 ' ND1' ' CE2' ' A' ' 132' ' ' TRP . 77.0 m-70 -95.73 120.85 36.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.947 0.403 . . . . 0.0 110.43 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -110.47 132.28 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.973 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.897 ' SG ' 'ZN ' ' A' ' 308' ' ' ' ZN' . 20.9 t -55.68 122.37 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.251 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 131' ' ' MET . 34.3 t -58.02 -18.88 27.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -104.62 -74.81 0.64 Allowed 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.381 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 5.8 m -59.9 -25.26 64.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.686 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 111' ' ' CYS . 73.9 mm-40 73.34 4.05 4.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 57.7 m -67.72 145.52 54.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.855 0.36 . . . . 0.0 111.143 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.494 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 45.3 mtmt -86.14 114.64 23.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.495 ' CE1' ' HA3' ' A' ' 120' ' ' GLY . 3.9 p90 -128.96 163.0 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.196 0.522 . . . . 0.0 111.274 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 98' ' ' THR . 29.2 p -88.1 171.67 10.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.571 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.43 26.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.529 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 118' ' ' ARG . 13.6 mmp_? -92.58 -20.84 20.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.327 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 68.7 m -105.24 25.08 11.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.96 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 115' ' ' PHE . . . -171.04 176.89 44.26 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.492 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -134.71 157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.483 ' HB3' ' CZ2' ' A' ' 132' ' ' TRP . 4.3 ptm85 -87.25 136.04 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 110.732 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.447 HG12 HD21 ' A' ' 125' ' ' LEU . 59.7 t -134.6 84.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.23 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -93.21 117.32 29.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.59 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.6 mm? -93.25 164.97 13.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -77.55 0.86 21.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.729 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.9 p -96.68 23.92 6.51 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.756 0.312 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 55.21 58.61 4.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -150.21 106.31 3.46 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.53 120.25 43.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.412 ' HB2' ' HB2' ' A' ' 109' ' ' SER . 22.0 ptt? -142.48 139.95 31.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.164 0.507 . . . . 0.0 111.127 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.483 ' CZ2' ' HB3' ' A' ' 122' ' ' ARG . 18.7 m95 -101.47 142.7 32.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.545 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.479 ' CG1' ' CB ' ' A' ' 137' ' ' CYS . 59.8 t -128.18 128.26 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.354 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 29.2 p -57.87 152.7 15.45 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.152 0.501 . . . . 0.0 111.72 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -55.53 -18.95 8.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.746 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 136' ' ' LEU . 4.5 mt -80.95 -31.54 34.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.045 0.45 . . . . 0.0 109.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.479 ' CB ' ' CG1' ' A' ' 133' ' ' VAL . 15.6 m -89.59 -31.01 17.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 178.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.18 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -88.85 -45.3 9.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.548 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -79.06 -37.15 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -112.24 25.45 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.491 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.165 -0.922 . . . . 0.0 111.066 179.676 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 92' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' ' ZN' . . . . . 0.897 'ZN ' ' SG ' ' A' ' 108' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_