data_1y7k_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 1y7k _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 ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 CA--C 1.572 1.819 0 CA-C-O 121.457 0.646 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.6 t -79.81 94.77 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 119.686 -1.884 . . . . 0.0 109.929 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 165.38 24.89 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -57.96 -45.83 86.07 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.14 66.18 0.63 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.716 1.246 . . . . 0.0 111.367 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -157.79 141.34 15.52 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 124.54 1.136 . . . . 0.0 109.403 -170.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -67.13 148.41 51.88 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.5 m -65.3 100.43 0.47 Allowed 'General case' 0 CA--C 1.577 2.0 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -121.42 88.39 46.07 Favored Pre-proline 0 CA--C 1.58 2.134 0 C-N-CA 123.899 0.88 . . . . 0.0 111.647 -158.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.92 161.33 39.14 Favored 'Trans proline' 0 CA--C 1.583 2.964 0 C-N-CA 122.548 2.165 . . . . 0.0 116.547 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.11 114.96 3.61 Favored 'Cis proline' 0 CA--C 1.569 2.228 0 CA-C-N 122.935 2.084 . . . . 0.0 115.36 7.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.08 129.48 20.0 Favored Pre-proline 0 CA--C 1.572 1.821 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.595 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.22 73.57 5.89 Favored 'Trans proline' 0 CA--C 1.572 2.394 0 C-N-CA 122.755 2.304 . . . . 0.0 113.78 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . 0.349 . . 56.81 -126.05 1.88 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -166.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 63.1 m -103.19 169.59 8.46 Favored 'General case' 0 CA--C 1.576 1.973 0 O-C-N 120.975 -1.078 . . . . 0.0 112.688 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.64 -35.68 72.9 Favored 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 118.776 2.88 . . . . 0.0 118.776 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -106.84 145.17 30.54 Favored Pre-proline 0 CA--C 1.587 2.402 0 CA-C-N 119.337 0.972 . . . . 0.0 110.738 164.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.05 -16.01 32.23 Favored 'Trans proline' 0 CA--C 1.569 2.252 0 N-CA-C 121.192 3.497 . . . . 0.0 121.192 -162.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.3 m -86.49 -1.31 57.49 Favored 'General case' 0 CA--C 1.584 2.269 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.53 145.37 30.12 Favored 'General case' 0 CA--C 1.571 1.773 0 O-C-N 120.613 -1.304 . . . . 0.0 113.928 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -137.65 157.66 46.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.941 -1.1 . . . . 0.0 113.677 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.1 126.54 28.95 Favored 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -126.3 99.51 5.89 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.391 0.677 . . . . 0.0 111.075 -172.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.07 160.75 29.48 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -99.5 -59.69 1.67 Allowed 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 165.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -136.54 93.35 2.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.103 -0.998 . . . . 0.0 109.765 -166.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . 0.349 59.7 t80 64.79 -87.62 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 124.571 1.149 . . . . 0.0 113.908 -173.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -122.2 7.75 9.71 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.2 t -79.67 140.26 37.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.366 -2.083 . . . . 0.0 113.455 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . 0.263 . . 53.85 55.94 7.79 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 117.529 2.418 . . . . 0.0 117.529 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.98 99.48 9.95 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 124.146 0.979 . . . . 0.0 112.562 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.501 2.105 0 C-N-CA 123.501 0.72 . . . . 0.0 111.097 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.38 133.54 43.81 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 119.616 -1.927 . . . . 0.0 115.511 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 124.26 28.12 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.859 0.864 . . . . 0.0 110.739 -167.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.3 m -76.81 82.12 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-O 122.517 1.151 . . . . 0.0 111.67 167.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.05 -37.37 66.88 Favored 'General case' 0 CA--C 1.572 1.827 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.8 t -72.25 142.06 48.95 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.7 mt -81.98 -49.96 9.67 Favored 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.76 -80.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.851 0 CA-C-N 120.12 1.327 . . . . 0.0 110.634 169.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.488 1.468 0 CA-C-N 120.102 1.319 . . . . 0.0 109.743 163.653 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.463 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 26.6 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 21.2 t -94.58 -9.02 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 66.39 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.38 -34.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -100.02 13.03 35.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 16.4 t-20 -103.05 140.1 37.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -78.91 62.26 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.446 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 35.5 m 41.96 79.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 156.03 86.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 160.07 40.59 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.54 16.43 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.017 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 59.61 83.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -68.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.77 23.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.1 t 66.84 162.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.463 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.1 OUTLIER -55.02 -20.81 10.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.33 134.6 14.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.95 8.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -2.01 16.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.87 121.57 45.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.9 -169.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 102.17 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HB2' ' CB ' ' A' ' 126' ' ' ARG . 2.0 t80 -89.28 125.95 35.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.7 110.24 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 108.258 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -56.02 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -110.75 -60.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -171.44 -62.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -119.64 0.5 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -113.73 139.56 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.46 67.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 88.6 m -120.54 112.98 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.2 m-85 -146.26 169.17 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.96 149.63 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -171.98 151.8 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.421 HG13 ' CA ' ' A' ' 130' ' ' LEU . 2.3 p -89.05 158.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.48 -36.9 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -76.38 -1.57 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.421 ' CA ' HG13 ' A' ' 127' ' ' VAL . 2.9 mp 65.98 -74.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' SER . 70.5 m-80 -97.22 50.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 95' ' ' ALA . 56.4 t -107.68 -114.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 94' ' ' VAL . . . -176.0 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.89 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.431 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 6.0 mtt180 -103.89 8.81 36.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -116.52 154.39 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.8 t -70.08 167.77 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -77.14 93.32 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -74.73 160.88 79.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.455 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 161.16 39.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 0.88 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.008 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 72.31 76.42 0.22 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -80.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.72 23.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.8 t 62.14 165.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -20.87 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.07 129.08 25.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.53 7.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 69.8 m -116.22 -3.5 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.64 142.19 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.1 m -129.53 -169.72 2.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.48 106.26 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -105.05 141.41 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 116.58 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.75 -41.54 97.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -125.64 171.34 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -37.38 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -125.23 32.53 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.78 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 62.43 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -145.17 111.06 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.9 m-85 -143.82 171.73 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 96' ' ' THR . 1.1 m -65.36 133.35 51.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.568 ' HB3' ' CD1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -150.93 146.39 26.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.412 ' C ' ' CD2' ' A' ' 128' ' ' LEU . 7.2 p -109.57 160.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.504 ' CD1' ' NH1' ' A' ' 126' ' ' ARG . 1.7 mm? -134.66 -46.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -74.9 68.05 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 45.37 -165.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -94.86 14.2 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 82.6 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.2 t -100.15 -9.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.24 -88.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -175.06 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 mtt85 -95.82 7.87 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -106.44 159.28 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' LYS . 23.0 t -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.1 m -62.98 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 108.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' SER . 7.9 ptmt -74.93 154.13 86.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.468 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 159.87 40.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.06 0.58 16.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.978 0.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 66.64 71.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.95 121.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.5 t -44.47 165.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -36.02 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -122.05 136.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.01 8.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.3 m -111.81 -0.46 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.9 124.32 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.45 -169.06 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 131.44 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.515 ' CZ ' HD13 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -134.94 122.8 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ARG . 64.2 m -110.26 95.1 5.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . 11.4 mtm180 -38.61 -50.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 117' ' ' ARG . 32.7 m-85 -140.39 -164.49 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.46 -71.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -124.0 55.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.5 m -114.7 -70.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.06 136.78 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.7 t -145.07 120.54 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.3 m-85 -146.75 -173.98 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.3 OUTLIER -75.62 116.33 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.3 148.24 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.4 p -85.01 150.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.515 HD13 ' CZ ' ' A' ' 115' ' ' TYR . 3.8 mm? -120.35 -51.16 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.0 m -90.92 -173.44 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 130' ' ' LEU . 2.2 pt? -161.52 29.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -130.67 23.03 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.31 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 40.3 t -94.9 -10.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.33 -89.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.41 -39.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 8.4 mtt180 -95.59 10.18 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.45 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 13.7 t30 -108.77 158.43 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 26.3 t -87.42 154.49 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.28 83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 99' ' ' SER . 1.9 ptmm? -74.74 154.78 87.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.459 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 160.25 40.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.33 16.57 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.066 -2.473 . . . . 0.0 110.985 -0.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 66.63 70.43 0.5 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.75 116.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.7 t -44.44 163.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -21.15 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.62 24.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 57.1 m -118.79 1.82 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.2 128.52 54.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.58 -159.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.33 128.67 34.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 108.349 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 1.1 t80 -135.01 120.43 19.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.68 108.51 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.98 -51.73 4.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -120.42 -65.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -179.73 -66.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -125.0 45.94 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.76 -60.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -149.09 134.67 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 37.1 m -141.65 128.11 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.248 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.9 m-85 -144.02 -172.89 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -75.9 141.96 42.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.579 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.87 152.91 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.418 ' O ' ' NH1' ' A' ' 126' ' ' ARG . 9.2 p -124.35 146.68 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -126.02 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.472 ' HB3' ' CA ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -134.71 9.18 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.88 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -107.56 29.93 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.472 ' CA ' ' HB3' ' A' ' 129' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 107' ' ' CYS . 11.5 t -94.61 -4.36 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.53 -87.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 124' ' ' TYR . 0.8 OUTLIER 174.37 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 23.7 mtt180 -98.37 20.27 12.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' SER . 54.3 t-20 -109.36 141.04 42.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 7.7 t -78.62 72.11 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 10.4 m 66.95 -73.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 66.71 63.82 0.82 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 126.03 12.18 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.034 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.434 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -143.74 93.22 6.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 78.35 120.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.415 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 4.7 m -54.09 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -21.01 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.23 141.51 34.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.65 7.51 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.55 9.86 10.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 107' ' ' CYS . . . -107.32 123.07 47.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -116.87 -173.71 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.4 134.52 34.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 2.3 t80 -134.61 140.34 46.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.82 108.12 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 108.261 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -42.75 -52.87 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.9 -59.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 177.47 -64.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -125.08 36.44 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.2 m -117.62 -65.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.89 129.24 18.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.616 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 35.1 m -142.92 127.65 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.8 m-85 -145.66 176.26 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.8 OUTLIER -76.33 109.63 10.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.65 154.11 28.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.8 p -85.05 143.94 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 mt -134.13 37.68 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.21 -159.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.0 tt -157.36 -49.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.33 13.16 16.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.242 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 3.6 t -96.14 138.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.78 -91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -171.69 -39.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -98.09 14.49 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.37 155.13 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 t -74.97 150.5 39.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.02 85.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -74.94 150.73 86.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 154.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 1.05 16.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.012 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 67.06 63.59 0.77 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.0 54.08 3.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . 61.13 121.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 106' ' ' ALA . 10.0 m -43.84 164.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 60.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 0.4 OUTLIER 165.57 133.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.52 7.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.4 m -121.41 7.25 10.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 108.282 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.73 114.38 28.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.1 m -119.09 -170.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 131.89 34.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.249 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.502 ' CZ ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -138.94 139.32 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 8.5 t -135.81 107.36 6.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 108.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -49.28 -55.26 13.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -97.63 176.16 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -48.84 -76.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -124.51 50.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.21 139.16 22.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 51.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.579 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 m -143.82 120.94 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.5 m-85 -143.0 -179.16 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 2.3 m -75.89 108.28 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 108.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.403 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -117.35 155.68 29.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.4 p -86.93 133.59 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 115' ' ' TYR . 4.6 mm? -121.43 50.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.65 -154.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 mt -157.29 -59.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -109.31 19.06 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -134.08 155.2 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.48 160.65 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.33 -20.94 58.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -105.13 26.21 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -130.94 156.24 45.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.4 t -70.79 148.13 48.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.4 p -62.91 90.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 108.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -74.08 152.88 88.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.473 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 153.87 41.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 1.92 15.43 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 101' ' ' LYS . . . 55.8 88.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -61.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . -173.9 32.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 106' ' ' ALA . 6.7 m 53.22 174.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.53 58.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER 165.46 127.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.21 6.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.24 10.61 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.31 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.18 126.13 54.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.58 -179.07 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.39 104.12 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.476 ' HB2' ' CB ' ' A' ' 126' ' ' ARG . 0.1 OUTLIER -103.78 112.08 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.67 98.81 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.471 ' C ' ' CD1' ' A' ' 118' ' ' PHE . 2.3 mtt-85 -47.08 -37.28 9.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 117' ' ' ARG . 83.7 m-85 -158.09 -169.24 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.38 -71.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -123.47 54.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.426 ' CB ' ' HB2' ' A' ' 118' ' ' PHE . 1.5 t -120.79 -69.7 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -157.4 133.22 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 53.7 t -144.43 120.47 10.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.5 m-85 -144.03 175.7 9.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 4.3 m -77.91 101.06 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -113.17 155.29 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -84.69 163.64 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -127.37 24.04 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.45 144.6 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -55.22 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -102.04 55.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 46.1 t -94.75 -9.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 65.77 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.33 -39.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.441 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.8 mtp180 -97.63 13.16 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -109.4 147.07 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' LYS . 47.9 t -76.85 153.48 34.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.55 87.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.3 OUTLIER -75.03 146.35 82.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.458 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 159.48 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.85 16.22 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.016 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 67.21 74.76 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.06 122.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.1 t -45.37 167.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -21.18 10.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -134.05 140.52 36.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.1 8.12 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.427 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 0.0 OUTLIER -116.66 4.25 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.97 119.9 40.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.14 -164.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 137.46 33.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 4.0 t80 -134.9 147.4 49.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.2 m -144.78 99.09 3.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 18.23 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.432 ' HB3' ' CB ' ' A' ' 121' ' ' SER . 0.2 OUTLIER -133.06 6.81 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.6 t80 69.49 -64.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 23.39 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.432 ' CB ' ' HB3' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -154.93 176.16 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.39 70.89 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.607 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 16.8 m -111.39 106.41 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.1 m-85 -144.24 171.96 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -61.65 160.56 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER 179.98 153.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 111' ' ' CYS . 2.3 p -104.36 141.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.446 HD21 ' CE2' ' A' ' 115' ' ' TYR . 0.5 OUTLIER -111.54 47.42 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.2 t -165.04 149.26 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.09 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -100.26 56.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.476 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 26.8 t -135.25 112.78 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.93 147.08 54.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -54.99 -17.34 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.77 10.43 30.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -105.0 134.53 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.376 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.5 t -78.37 55.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.401 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 1.8 m 41.69 85.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -74.36 157.86 85.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.0 Cg_endo -75.05 157.48 42.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.0 -0.39 17.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.012 0.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 66.37 71.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.02 6.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.58 -110.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 24.8 t -178.2 159.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 108.253 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -19.72 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 108.349 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.34 125.96 21.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 20.8 p -113.36 -1.16 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.44 133.41 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.32 -167.35 1.34 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 84.3 m -84.37 106.45 15.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -104.88 146.21 29.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 6.5 t -146.3 124.02 11.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -55.63 22.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -100.49 -70.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.83 -61.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 39.97 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -51.74 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -153.09 113.99 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.8 m -137.37 119.87 15.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.7 m-85 -144.62 168.03 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.34 135.27 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.537 ' HB3' ' CD1' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -150.34 152.43 34.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.3 p -113.58 153.48 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.536 ' CD1' ' NH1' ' A' ' 126' ' ' ARG . 2.2 mm? -128.65 47.09 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.0 m -159.92 125.17 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.11 48.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -145.09 34.89 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 21.0 t -94.85 0.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . 63.72 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.64 -33.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.406 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 7.5 mtt180 -98.79 10.02 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -111.14 157.6 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t -73.97 162.91 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.86 93.57 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.316 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.52 152.52 87.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.474 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 155.97 42.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.01 1.88 15.43 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.024 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.421 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 66.33 63.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -49.13 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.25 125.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.8 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.92 9.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -130.08 140.6 39.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 1.0 8.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 93.4 m -110.67 -4.58 15.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.61 127.05 48.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.54 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 137.12 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -142.5 125.08 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.1 m -116.49 112.64 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -56.9 -39.22 74.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -132.05 174.52 10.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -40.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -125.08 51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.51 139.31 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 55.35 103.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 72.1 m -145.03 113.98 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.1 m-85 -143.71 -175.35 4.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 1.5 m -85.99 121.08 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 5.2 tpp180 -142.14 153.29 43.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 0.7 OUTLIER -84.43 144.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 115' ' ' TYR . 2.3 mm? -106.73 -33.01 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.2 m -83.77 -156.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.82 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.13 62.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.424 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 3.4 t -95.9 130.6 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.33 147.71 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -18.41 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -110.09 23.27 14.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' N ' ' HB3' ' A' ' 124' ' ' TYR . 1.6 m120 -133.71 148.5 51.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.7 t -76.23 159.77 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.9 m -64.14 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -76.02 145.16 76.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.471 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.0 157.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.97 1.05 16.02 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.045 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.419 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 67.72 64.18 0.68 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.97 55.16 3.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 69.33 124.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.5 t -54.66 163.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -20.47 13.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 108.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.43 18.23 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.86 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.6 t -107.85 -0.83 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 108.318 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.63 128.05 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.367 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -167.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.69 106.09 15.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.698 ' CD1' ' CD2' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -105.08 125.19 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.93 104.59 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.252 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -56.37 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.7 OUTLIER -87.71 8.25 26.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 3.2 t80 77.24 -52.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -114.37 -8.0 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 19.9 m -133.1 169.94 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.11 74.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.568 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.3 t -112.07 117.41 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.2 m-85 -142.41 169.76 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.424 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -60.29 150.82 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.58 149.57 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.07 137.01 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.698 ' CD2' ' CD1' ' A' ' 115' ' ' TYR . 2.1 mm? -132.68 45.55 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 m -163.44 120.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 59.1 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -127.49 -44.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 99' ' ' SER . 3.0 t -112.13 140.53 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.04 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -170.5 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.5 mtt180 -96.22 9.51 40.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -114.08 167.26 10.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.466 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 40.5 t -79.39 -176.42 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 50.7 m -80.25 -18.67 48.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 100' ' ' CYS . 19.1 ptmt 46.99 64.04 9.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 158.23 42.4 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 125.68 11.68 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.995 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -155.81 161.02 30.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.63 -173.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.07 177.76 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 58.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.14 137.03 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.6 m -114.97 0.98 13.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.32 119.25 38.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.38 -180.0 4.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 102.55 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.519 ' CZ ' HD21 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -104.29 132.87 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.93 110.14 19.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 108.318 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -60.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -98.3 -59.55 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 176.66 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.7 34.99 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 m -150.8 139.94 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.08 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 54.1 t -116.51 132.37 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.2 m-85 -144.27 -172.28 3.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' THR . 1.3 m -86.39 111.92 20.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.429 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.58 158.75 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.69 145.38 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.519 HD21 ' CZ ' ' A' ' 115' ' ' TYR . 12.3 mt -135.24 28.94 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.2 m -145.48 171.36 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.0 25.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -136.62 42.93 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.304 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.86 134.84 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.73 -94.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.33 -41.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.43 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 61.9 mtt180 -94.48 10.75 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -112.23 151.89 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.3 t -69.63 164.43 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.34 93.32 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -74.73 153.11 87.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.461 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 161.57 38.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.99 0.74 16.31 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.025 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 70.42 69.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.17 122.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.22 156.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 108.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -20.58 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -125.11 130.93 24.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 1.55 7.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 132' ' ' CYS . 0.8 OUTLIER -110.11 2.75 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.7 133.36 56.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -126.82 -165.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 97.9 m -84.53 126.26 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.563 ' CE1' HD23 ' A' ' 128' ' ' LEU . 0.3 OUTLIER -135.1 136.08 41.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 38.7 m -110.38 99.37 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -50.15 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -91.89 8.55 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.5 t80 75.76 -54.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.68 8.88 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.33 169.26 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 42.71 71.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 t -113.36 121.06 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 15.0 m-85 -143.16 179.01 7.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -71.68 111.5 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' CB ' ' CB ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -131.59 148.18 52.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.62 169.47 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -135.02 -46.57 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -159.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.95 44.63 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -114.6 -36.47 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 99' ' ' SER . 95.8 t -94.86 -6.25 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.48 -99.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.69 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.07 21.45 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.1 t-20 -123.24 159.06 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.503 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 47.4 t -75.13 165.81 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.414 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 61.6 m -70.42 61.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -90.46 132.14 36.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.483 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.97 157.73 42.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.94 127.77 15.06 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.424 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -135.0 93.07 17.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.08 57.77 4.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 84.07 16.59 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 106' ' ' ALA . 5.0 t 87.13 164.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -21.01 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 135.91 28.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.17 8.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.403 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 2.6 m -113.89 3.8 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.38 136.56 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.82 -174.78 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.1 m -84.39 102.66 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.572 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -105.11 149.13 26.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.9 m -133.76 109.13 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -43.41 -43.49 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -130.98 -175.67 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.74 -64.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -124.32 50.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.94 126.87 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 59.94 113.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 51.6 m -144.45 102.08 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 21.6 m-85 -143.49 -178.72 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.8 OUTLIER -67.05 148.86 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.99 143.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -84.94 151.33 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.572 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.2 mm? -108.44 -47.9 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.5 m -97.9 125.28 42.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.3 -44.46 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 108.265 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 54.0 t -120.57 -2.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.39 -90.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -172.67 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -95.45 12.34 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.481 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -111.79 161.13 16.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 101' ' ' LYS . 22.0 t -84.79 152.98 23.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 2.6 m -69.16 69.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.507 ' CD ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -81.77 114.35 49.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.467 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.98 157.92 42.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 127.86 15.28 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.973 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.424 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -138.18 93.44 11.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 18.4 Cg_endo -74.98 69.74 5.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 84.91 134.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 106' ' ' ALA . 34.8 m -47.67 172.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -20.81 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -120.97 139.23 28.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.3 7.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.1 m -119.54 4.71 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 109' ' ' ASP . . . -106.23 123.0 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.17 -169.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.4 135.05 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -146.91 162.55 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.7 m -144.94 95.31 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -42.54 -48.55 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -117.14 -171.56 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -57.32 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.55 42.87 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -133.31 15.18 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -178.21 109.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.6 m -145.74 105.72 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.3 m-85 -144.76 -172.2 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.6 112.93 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 126' ' ' ARG . 1.6 p -84.37 130.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 115' ' ' TYR . 5.3 mt -135.15 35.25 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -95.09 179.13 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.56 -80.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -104.56 23.46 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 129' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 38.5 t -94.15 -3.9 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.41 -88.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -179.96 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -98.63 18.12 17.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 11.5 t-20 -106.96 138.88 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 100' ' ' CYS . 3.5 t -88.18 52.28 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 61.39 117.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 99.29 13.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.482 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 156.31 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.95 127.63 14.81 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.063 -2.474 . . . . 0.0 111.001 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -134.87 99.78 12.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 86.08 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.81 133.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.1 t -45.16 166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.272 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -21.01 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 52.1 m-20 -127.14 144.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 2.63 6.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 129' ' ' SER . 1.8 t -127.06 11.57 7.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . . . -106.9 110.92 23.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -105.98 -178.52 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.038 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.1 109.08 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 108.249 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -97.76 128.66 44.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 15.5 m -117.69 100.94 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.359 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -45.66 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.28 -70.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -166.12 -61.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -118.37 3.58 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.08 152.98 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.48 70.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.7 t -132.06 116.12 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.2 m-85 -148.51 173.98 12.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -59.38 141.41 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.581 ' HG2' ' CD2' ' A' ' 115' ' ' TYR . 19.3 tpp180 -154.26 158.21 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 2.2 p -103.24 150.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 115' ' ' TYR . 2.3 mm? -123.39 -54.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.447 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER -74.95 -159.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.04 -46.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -97.52 49.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 100' ' ' CYS . 21.2 t -94.41 -7.92 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . 64.93 -83.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.57 -33.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.1 mtt85 -99.09 14.82 27.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.475 HD21 ' N ' ' A' ' 99' ' ' SER . 0.1 OUTLIER -105.44 142.85 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.475 ' N ' HD21 ' A' ' 98' ' ' ASN . 37.9 t -79.61 63.4 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 4.5 m 40.55 82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.441 ' NZ ' ' OD1' ' A' ' 98' ' ' ASN . 3.7 ptpp? -79.35 147.22 68.09 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.469 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 156.52 43.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -74.99 0.51 16.45 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.98 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 70.55 85.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 57.38 4.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.09 18.43 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 19.6 t 73.03 157.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.88 9.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.54 132.2 20.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 46.8 m -112.68 3.32 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.09 131.34 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.2 -168.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.058 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 74.8 m -84.54 105.99 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.561 ' CE1' HD12 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -105.01 133.08 50.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.34 86.5 2.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -44.49 -51.81 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -103.11 165.3 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.72 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.72 17.23 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.1 m -118.61 165.92 13.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.7 82.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 95.4 m -127.97 103.46 7.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 97' ' ' ARG . 20.3 m-85 -145.51 173.98 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -64.18 128.37 35.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -152.84 146.48 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.67 162.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 115' ' ' TYR . 3.9 mm? -108.96 -44.93 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 m -104.85 134.68 47.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 76.67 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.61 -47.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.297 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 32.0 t -95.2 -6.0 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.14 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -173.51 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 124' ' ' TYR . 6.8 mtt180 -99.44 19.35 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -119.05 158.54 25.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.2 t -75.3 149.16 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 2.5 m -69.26 77.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 5.1 ptmt -74.96 113.63 26.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.476 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 159.16 41.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 127.63 14.82 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.022 -0.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.429 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -144.39 90.74 6.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.03 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.07 122.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.74 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -20.91 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 130.05 24.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.46 7.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.9 m -115.69 6.24 14.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.8 122.6 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.5 -163.97 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 82.6 m -84.69 151.57 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.535 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.1 OUTLIER -150.81 114.2 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 123' ' ' CYS . 77.3 m -108.57 107.24 17.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -48.75 -45.54 39.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.35 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.9 -66.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.0 45.32 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.96 -60.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.03 112.19 4.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.5 t -141.12 127.88 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.1 m-85 -143.89 -178.82 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.502 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 3.1 m -80.4 108.04 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.535 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.09 157.41 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.9 m -85.95 162.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.13 -45.03 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -104.59 107.98 19.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 73.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.2 m120 -145.09 -46.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 46.9 t -94.86 128.89 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.59 -89.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -164.57 -42.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 124' ' ' TYR . 31.2 mtp180 -94.8 8.87 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.411 ' N ' ' HB3' ' A' ' 124' ' ' TYR . 3.2 t-20 -106.42 155.67 19.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 t -68.04 159.1 31.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 2.0 m -56.82 -33.69 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 ptmt 44.71 63.83 8.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.504 ' HA ' ' N ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 154.63 42.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 124.46 10.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.985 -0.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.504 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -96.01 128.82 35.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 54.59 3.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 69.42 120.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -42.98 162.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 94' ' ' VAL . 71.8 m -54.73 -21.13 9.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.76 138.84 29.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.77 7.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.56 7.58 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.15 119.42 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.63 -164.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 138.26 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CB ' ' HB2' ' A' ' 126' ' ' ARG . 1.1 t80 -143.6 117.62 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 24.5 m -104.7 124.36 49.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -71.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.538 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 24.3 m-85 -87.83 -4.37 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 78.1 -53.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 48.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.465 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -150.67 -61.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.01 134.45 28.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.62 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 17.2 t -145.31 122.18 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 108.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.2 m-85 -145.45 -177.39 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -64.25 164.61 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.448 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER 171.64 150.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.0 m -84.7 151.86 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -105.08 -24.85 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 p 48.25 -175.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.55 -57.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -115.64 17.6 16.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 108.274 -179.973 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.45 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 27.9 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 11.9 t -94.98 131.82 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.92 -92.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.37 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.377 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 5.1 mtp180 -94.52 11.61 30.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -109.51 152.94 24.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 171.08 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.54 88.25 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 102' ' ' PRO . 10.3 tttp -74.83 142.39 76.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.02 159.61 41.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 1.07 16.17 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.989 0.06 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 60.95 91.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -159.47 26.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.2 t 60.93 153.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.45 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -75.05 58.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER 164.05 123.18 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 1.98 7.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 1.3 m -122.98 5.09 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 109' ' ' ASP . . . -117.16 118.62 32.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -119.34 -164.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 90.7 m -83.83 130.35 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.361 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.561 ' CE1' HD22 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -145.68 145.42 30.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.72 127.2 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.97 -62.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.02 -171.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.08 -76.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -120.79 33.65 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.6 p -149.87 175.73 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.5 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -138.81 123.05 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.3 m-85 -143.86 -176.97 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -77.81 110.24 12.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 127' ' ' VAL . 0.0 OUTLIER -121.01 157.5 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -86.81 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.561 HD22 ' CE1' ' A' ' 115' ' ' TYR . 15.0 mt -135.01 26.91 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.46 -160.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.02 -47.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -100.14 37.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.297 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 CA--C 1.572 1.819 0 CA-C-O 121.457 0.646 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.6 t -79.81 94.77 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 119.686 -1.884 . . . . 0.0 109.929 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 165.38 24.89 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -57.96 -45.83 86.07 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.14 66.18 0.63 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.716 1.246 . . . . 0.0 111.367 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -157.79 141.34 15.52 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 124.54 1.136 . . . . 0.0 109.403 -170.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -67.13 148.41 51.88 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.5 m -65.3 100.43 0.47 Allowed 'General case' 0 CA--C 1.577 2.0 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -121.42 88.39 46.07 Favored Pre-proline 0 CA--C 1.58 2.134 0 C-N-CA 123.899 0.88 . . . . 0.0 111.647 -158.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.92 161.33 39.14 Favored 'Trans proline' 0 CA--C 1.583 2.964 0 C-N-CA 122.548 2.165 . . . . 0.0 116.547 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.11 114.96 3.61 Favored 'Cis proline' 0 CA--C 1.569 2.228 0 CA-C-N 122.935 2.084 . . . . 0.0 115.36 7.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.08 129.48 20.0 Favored Pre-proline 0 CA--C 1.572 1.821 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.595 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.22 73.57 5.89 Favored 'Trans proline' 0 CA--C 1.572 2.394 0 C-N-CA 122.755 2.304 . . . . 0.0 113.78 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . 0.349 . . 56.81 -126.05 1.88 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -166.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 63.1 m -103.19 169.59 8.46 Favored 'General case' 0 CA--C 1.576 1.973 0 O-C-N 120.975 -1.078 . . . . 0.0 112.688 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.64 -35.68 72.9 Favored 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 118.776 2.88 . . . . 0.0 118.776 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -106.84 145.17 30.54 Favored Pre-proline 0 CA--C 1.587 2.402 0 CA-C-N 119.337 0.972 . . . . 0.0 110.738 164.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.05 -16.01 32.23 Favored 'Trans proline' 0 CA--C 1.569 2.252 0 N-CA-C 121.192 3.497 . . . . 0.0 121.192 -162.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.3 m -86.49 -1.31 57.49 Favored 'General case' 0 CA--C 1.584 2.269 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.53 145.37 30.12 Favored 'General case' 0 CA--C 1.571 1.773 0 O-C-N 120.613 -1.304 . . . . 0.0 113.928 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -137.65 157.66 46.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.941 -1.1 . . . . 0.0 113.677 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.1 126.54 28.95 Favored 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -126.3 99.51 5.89 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.391 0.677 . . . . 0.0 111.075 -172.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.07 160.75 29.48 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -99.5 -59.69 1.67 Allowed 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 165.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -136.54 93.35 2.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.103 -0.998 . . . . 0.0 109.765 -166.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . 0.349 59.7 t80 64.79 -87.62 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 124.571 1.149 . . . . 0.0 113.908 -173.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -122.2 7.75 9.71 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.2 t -79.67 140.26 37.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.366 -2.083 . . . . 0.0 113.455 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . 0.263 . . 53.85 55.94 7.79 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 117.529 2.418 . . . . 0.0 117.529 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.98 99.48 9.95 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 124.146 0.979 . . . . 0.0 112.562 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.501 2.105 0 C-N-CA 123.501 0.72 . . . . 0.0 111.097 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.38 133.54 43.81 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 119.616 -1.927 . . . . 0.0 115.511 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 124.26 28.12 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.859 0.864 . . . . 0.0 110.739 -167.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.3 m -76.81 82.12 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-O 122.517 1.151 . . . . 0.0 111.67 167.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.05 -37.37 66.88 Favored 'General case' 0 CA--C 1.572 1.827 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.8 t -72.25 142.06 48.95 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.7 mt -81.98 -49.96 9.67 Favored 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.76 -80.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.851 0 CA-C-N 120.12 1.327 . . . . 0.0 110.634 169.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.488 1.468 0 CA-C-N 120.102 1.319 . . . . 0.0 109.743 163.653 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.463 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 26.6 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 21.2 t -94.58 -9.02 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 66.39 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.38 -34.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -100.02 13.03 35.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 16.4 t-20 -103.05 140.1 37.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -78.91 62.26 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.446 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 35.5 m 41.96 79.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 156.03 86.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 160.07 40.59 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.54 16.43 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.017 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 59.61 83.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -68.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.77 23.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.1 t 66.84 162.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.463 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.1 OUTLIER -55.02 -20.81 10.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.33 134.6 14.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.95 8.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -2.01 16.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.87 121.57 45.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.9 -169.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 102.17 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HB2' ' CB ' ' A' ' 126' ' ' ARG . 2.0 t80 -89.28 125.95 35.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.7 110.24 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 108.258 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -56.02 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -110.75 -60.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -171.44 -62.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -119.64 0.5 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -113.73 139.56 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.46 67.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 88.6 m -120.54 112.98 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.2 m-85 -146.26 169.17 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.96 149.63 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -171.98 151.8 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.421 HG13 ' CA ' ' A' ' 130' ' ' LEU . 2.3 p -89.05 158.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.48 -36.9 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -76.38 -1.57 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.421 ' CA ' HG13 ' A' ' 127' ' ' VAL . 2.9 mp 65.98 -74.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' SER . 70.5 m-80 -97.22 50.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 95' ' ' ALA . 56.4 t -107.68 -114.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 94' ' ' VAL . . . -176.0 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.89 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.431 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 6.0 mtt180 -103.89 8.81 36.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -116.52 154.39 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.8 t -70.08 167.77 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -77.14 93.32 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -74.73 160.88 79.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.455 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 161.16 39.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 0.88 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.008 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 72.31 76.42 0.22 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -80.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.72 23.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.8 t 62.14 165.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -20.87 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.07 129.08 25.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.53 7.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 69.8 m -116.22 -3.5 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.64 142.19 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.1 m -129.53 -169.72 2.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.48 106.26 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -105.05 141.41 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 116.58 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.75 -41.54 97.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -125.64 171.34 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -37.38 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -125.23 32.53 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.78 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 62.43 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -145.17 111.06 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.9 m-85 -143.82 171.73 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 96' ' ' THR . 1.1 m -65.36 133.35 51.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.568 ' HB3' ' CD1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -150.93 146.39 26.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.412 ' C ' ' CD2' ' A' ' 128' ' ' LEU . 7.2 p -109.57 160.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.504 ' CD1' ' NH1' ' A' ' 126' ' ' ARG . 1.7 mm? -134.66 -46.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -74.9 68.05 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 45.37 -165.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -94.86 14.2 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 82.6 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.2 t -100.15 -9.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.24 -88.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -175.06 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 mtt85 -95.82 7.87 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -106.44 159.28 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' LYS . 23.0 t -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.1 m -62.98 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 108.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' SER . 7.9 ptmt -74.93 154.13 86.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.468 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 159.87 40.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.06 0.58 16.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.978 0.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 66.64 71.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.95 121.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.5 t -44.47 165.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -36.02 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -122.05 136.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.01 8.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.3 m -111.81 -0.46 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.9 124.32 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.45 -169.06 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 131.44 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.515 ' CZ ' HD13 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -134.94 122.8 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ARG . 64.2 m -110.26 95.1 5.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . 11.4 mtm180 -38.61 -50.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 117' ' ' ARG . 32.7 m-85 -140.39 -164.49 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.46 -71.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -124.0 55.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.5 m -114.7 -70.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.06 136.78 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.7 t -145.07 120.54 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.3 m-85 -146.75 -173.98 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.3 OUTLIER -75.62 116.33 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.3 148.24 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.4 p -85.01 150.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.515 HD13 ' CZ ' ' A' ' 115' ' ' TYR . 3.8 mm? -120.35 -51.16 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.0 m -90.92 -173.44 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 130' ' ' LEU . 2.2 pt? -161.52 29.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -130.67 23.03 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.31 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 40.3 t -94.9 -10.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.33 -89.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.41 -39.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 8.4 mtt180 -95.59 10.18 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.45 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 13.7 t30 -108.77 158.43 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 26.3 t -87.42 154.49 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.28 83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 99' ' ' SER . 1.9 ptmm? -74.74 154.78 87.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.459 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 160.25 40.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.33 16.57 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.066 -2.473 . . . . 0.0 110.985 -0.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 66.63 70.43 0.5 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.75 116.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.7 t -44.44 163.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -21.15 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.62 24.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 57.1 m -118.79 1.82 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.2 128.52 54.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.58 -159.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.33 128.67 34.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 108.349 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 1.1 t80 -135.01 120.43 19.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.68 108.51 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.98 -51.73 4.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -120.42 -65.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -179.73 -66.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -125.0 45.94 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.76 -60.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -149.09 134.67 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 37.1 m -141.65 128.11 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.248 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.9 m-85 -144.02 -172.89 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -75.9 141.96 42.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.579 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.87 152.91 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.418 ' O ' ' NH1' ' A' ' 126' ' ' ARG . 9.2 p -124.35 146.68 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -126.02 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.472 ' HB3' ' CA ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -134.71 9.18 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.88 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -107.56 29.93 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.472 ' CA ' ' HB3' ' A' ' 129' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 107' ' ' CYS . 11.5 t -94.61 -4.36 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.53 -87.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 124' ' ' TYR . 0.8 OUTLIER 174.37 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 23.7 mtt180 -98.37 20.27 12.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' SER . 54.3 t-20 -109.36 141.04 42.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 7.7 t -78.62 72.11 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 10.4 m 66.95 -73.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 66.71 63.82 0.82 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 126.03 12.18 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.034 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.434 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -143.74 93.22 6.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 78.35 120.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.415 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 4.7 m -54.09 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -21.01 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.23 141.51 34.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.65 7.51 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.55 9.86 10.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 107' ' ' CYS . . . -107.32 123.07 47.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -116.87 -173.71 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.4 134.52 34.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 2.3 t80 -134.61 140.34 46.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.82 108.12 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 108.261 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -42.75 -52.87 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.9 -59.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 177.47 -64.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -125.08 36.44 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.2 m -117.62 -65.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.89 129.24 18.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.616 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 35.1 m -142.92 127.65 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.8 m-85 -145.66 176.26 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.8 OUTLIER -76.33 109.63 10.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.65 154.11 28.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.8 p -85.05 143.94 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 mt -134.13 37.68 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.21 -159.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.0 tt -157.36 -49.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.33 13.16 16.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.242 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 3.6 t -96.14 138.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.78 -91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -171.69 -39.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -98.09 14.49 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.37 155.13 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 t -74.97 150.5 39.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.02 85.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -74.94 150.73 86.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 154.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 1.05 16.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.012 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 67.06 63.59 0.77 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.0 54.08 3.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . 61.13 121.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 106' ' ' ALA . 10.0 m -43.84 164.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 60.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 0.4 OUTLIER 165.57 133.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.52 7.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.4 m -121.41 7.25 10.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 108.282 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.73 114.38 28.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.1 m -119.09 -170.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 131.89 34.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.249 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.502 ' CZ ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -138.94 139.32 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 8.5 t -135.81 107.36 6.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 108.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -49.28 -55.26 13.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -97.63 176.16 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -48.84 -76.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -124.51 50.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.21 139.16 22.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 51.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.579 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 m -143.82 120.94 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.5 m-85 -143.0 -179.16 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 2.3 m -75.89 108.28 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 108.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.403 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -117.35 155.68 29.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.4 p -86.93 133.59 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 115' ' ' TYR . 4.6 mm? -121.43 50.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.65 -154.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 mt -157.29 -59.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -109.31 19.06 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -134.08 155.2 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.48 160.65 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.33 -20.94 58.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -105.13 26.21 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -130.94 156.24 45.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.4 t -70.79 148.13 48.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.4 p -62.91 90.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 108.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -74.08 152.88 88.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.473 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 153.87 41.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 1.92 15.43 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 101' ' ' LYS . . . 55.8 88.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -61.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . -173.9 32.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 106' ' ' ALA . 6.7 m 53.22 174.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.53 58.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER 165.46 127.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.21 6.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.24 10.61 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.31 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.18 126.13 54.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.58 -179.07 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.39 104.12 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.476 ' HB2' ' CB ' ' A' ' 126' ' ' ARG . 0.1 OUTLIER -103.78 112.08 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.67 98.81 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.471 ' C ' ' CD1' ' A' ' 118' ' ' PHE . 2.3 mtt-85 -47.08 -37.28 9.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 117' ' ' ARG . 83.7 m-85 -158.09 -169.24 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.38 -71.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -123.47 54.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.426 ' CB ' ' HB2' ' A' ' 118' ' ' PHE . 1.5 t -120.79 -69.7 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -157.4 133.22 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 53.7 t -144.43 120.47 10.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.5 m-85 -144.03 175.7 9.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 4.3 m -77.91 101.06 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -113.17 155.29 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -84.69 163.64 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -127.37 24.04 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.45 144.6 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -55.22 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -102.04 55.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 46.1 t -94.75 -9.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 65.77 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.33 -39.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.441 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.8 mtp180 -97.63 13.16 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -109.4 147.07 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' LYS . 47.9 t -76.85 153.48 34.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.55 87.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.3 OUTLIER -75.03 146.35 82.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.458 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 159.48 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.85 16.22 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.016 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 67.21 74.76 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.06 122.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.1 t -45.37 167.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -21.18 10.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -134.05 140.52 36.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.1 8.12 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.427 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 0.0 OUTLIER -116.66 4.25 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.97 119.9 40.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.14 -164.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 137.46 33.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 4.0 t80 -134.9 147.4 49.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.2 m -144.78 99.09 3.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 18.23 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.432 ' HB3' ' CB ' ' A' ' 121' ' ' SER . 0.2 OUTLIER -133.06 6.81 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.6 t80 69.49 -64.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 23.39 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.432 ' CB ' ' HB3' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -154.93 176.16 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.39 70.89 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.607 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 16.8 m -111.39 106.41 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.1 m-85 -144.24 171.96 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -61.65 160.56 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER 179.98 153.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 111' ' ' CYS . 2.3 p -104.36 141.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.446 HD21 ' CE2' ' A' ' 115' ' ' TYR . 0.5 OUTLIER -111.54 47.42 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.2 t -165.04 149.26 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.09 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -100.26 56.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.476 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 26.8 t -135.25 112.78 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.93 147.08 54.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -54.99 -17.34 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.77 10.43 30.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -105.0 134.53 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.376 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.5 t -78.37 55.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.401 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 1.8 m 41.69 85.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -74.36 157.86 85.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.0 Cg_endo -75.05 157.48 42.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.0 -0.39 17.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.012 0.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 66.37 71.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.02 6.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.58 -110.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 24.8 t -178.2 159.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 108.253 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -19.72 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 108.349 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.34 125.96 21.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 20.8 p -113.36 -1.16 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.44 133.41 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.32 -167.35 1.34 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 84.3 m -84.37 106.45 15.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -104.88 146.21 29.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 6.5 t -146.3 124.02 11.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -55.63 22.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -100.49 -70.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.83 -61.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 39.97 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -51.74 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -153.09 113.99 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.8 m -137.37 119.87 15.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.7 m-85 -144.62 168.03 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.34 135.27 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.537 ' HB3' ' CD1' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -150.34 152.43 34.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.3 p -113.58 153.48 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.536 ' CD1' ' NH1' ' A' ' 126' ' ' ARG . 2.2 mm? -128.65 47.09 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.0 m -159.92 125.17 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.11 48.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -145.09 34.89 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 21.0 t -94.85 0.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . 63.72 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.64 -33.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.406 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 7.5 mtt180 -98.79 10.02 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -111.14 157.6 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t -73.97 162.91 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.86 93.57 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.316 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.52 152.52 87.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.474 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 155.97 42.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.01 1.88 15.43 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.024 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.421 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 66.33 63.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -49.13 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.25 125.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.8 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.92 9.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -130.08 140.6 39.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 1.0 8.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 93.4 m -110.67 -4.58 15.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.61 127.05 48.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.54 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 137.12 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -142.5 125.08 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.1 m -116.49 112.64 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -56.9 -39.22 74.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -132.05 174.52 10.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -40.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -125.08 51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.51 139.31 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 55.35 103.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 72.1 m -145.03 113.98 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.1 m-85 -143.71 -175.35 4.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 1.5 m -85.99 121.08 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 5.2 tpp180 -142.14 153.29 43.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 0.7 OUTLIER -84.43 144.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 115' ' ' TYR . 2.3 mm? -106.73 -33.01 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.2 m -83.77 -156.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.82 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.13 62.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.424 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 3.4 t -95.9 130.6 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.33 147.71 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -18.41 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -110.09 23.27 14.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' N ' ' HB3' ' A' ' 124' ' ' TYR . 1.6 m120 -133.71 148.5 51.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.7 t -76.23 159.77 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.9 m -64.14 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -76.02 145.16 76.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.471 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.0 157.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.97 1.05 16.02 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.045 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 67.72 64.18 0.68 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.97 55.16 3.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 69.33 124.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.5 t -54.66 163.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -20.47 13.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 108.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.43 18.23 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.86 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.6 t -107.85 -0.83 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 108.318 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.63 128.05 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.367 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -167.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.69 106.09 15.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.698 ' CD1' ' CD2' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -105.08 125.19 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.93 104.59 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.252 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -56.37 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.7 OUTLIER -87.71 8.25 26.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 3.2 t80 77.24 -52.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -114.37 -8.0 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 19.9 m -133.1 169.94 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.11 74.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.568 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.3 t -112.07 117.41 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.2 m-85 -142.41 169.76 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.424 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -60.29 150.82 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.58 149.57 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.07 137.01 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.698 ' CD2' ' CD1' ' A' ' 115' ' ' TYR . 2.1 mm? -132.68 45.55 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 m -163.44 120.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 59.1 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -127.49 -44.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 99' ' ' SER . 3.0 t -112.13 140.53 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.04 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -170.5 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.5 mtt180 -96.22 9.51 40.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -114.08 167.26 10.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.466 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 40.5 t -79.39 -176.42 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 50.7 m -80.25 -18.67 48.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 100' ' ' CYS . 19.1 ptmt 46.99 64.04 9.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 158.23 42.4 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 125.68 11.68 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.995 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -155.81 161.02 30.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.63 -173.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.07 177.76 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 58.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.14 137.03 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.6 m -114.97 0.98 13.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.32 119.25 38.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.38 -180.0 4.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 102.55 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.519 ' CZ ' HD21 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -104.29 132.87 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.93 110.14 19.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 108.318 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -60.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -98.3 -59.55 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 176.66 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.7 34.99 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 m -150.8 139.94 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.08 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 54.1 t -116.51 132.37 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.2 m-85 -144.27 -172.28 3.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' THR . 1.3 m -86.39 111.92 20.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.429 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.58 158.75 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.69 145.38 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.519 HD21 ' CZ ' ' A' ' 115' ' ' TYR . 12.3 mt -135.24 28.94 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.2 m -145.48 171.36 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.0 25.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -136.62 42.93 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.304 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.86 134.84 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.73 -94.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.33 -41.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.43 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 61.9 mtt180 -94.48 10.75 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -112.23 151.89 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.3 t -69.63 164.43 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.34 93.32 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -74.73 153.11 87.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.461 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 161.57 38.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.99 0.74 16.31 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.025 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 70.42 69.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.17 122.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.22 156.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 108.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -20.58 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -125.11 130.93 24.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 1.55 7.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 132' ' ' CYS . 0.8 OUTLIER -110.11 2.75 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.7 133.36 56.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -126.82 -165.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 97.9 m -84.53 126.26 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.563 ' CE1' HD23 ' A' ' 128' ' ' LEU . 0.3 OUTLIER -135.1 136.08 41.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 38.7 m -110.38 99.37 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -50.15 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -91.89 8.55 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.5 t80 75.76 -54.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.68 8.88 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.33 169.26 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 42.71 71.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 t -113.36 121.06 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 15.0 m-85 -143.16 179.01 7.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -71.68 111.5 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' CB ' ' CB ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -131.59 148.18 52.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.62 169.47 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -135.02 -46.57 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -159.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.95 44.63 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -114.6 -36.47 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 99' ' ' SER . 95.8 t -94.86 -6.25 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.48 -99.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.69 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.07 21.45 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.1 t-20 -123.24 159.06 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.503 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 47.4 t -75.13 165.81 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.414 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 61.6 m -70.42 61.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -90.46 132.14 36.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.483 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.97 157.73 42.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.94 127.77 15.06 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.424 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -135.0 93.07 17.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.08 57.77 4.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 84.07 16.59 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 106' ' ' ALA . 5.0 t 87.13 164.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -21.01 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 135.91 28.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.17 8.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.403 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 2.6 m -113.89 3.8 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.38 136.56 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.82 -174.78 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.1 m -84.39 102.66 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.572 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -105.11 149.13 26.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.9 m -133.76 109.13 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -43.41 -43.49 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -130.98 -175.67 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.74 -64.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -124.32 50.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.94 126.87 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 59.94 113.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 51.6 m -144.45 102.08 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 21.6 m-85 -143.49 -178.72 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.8 OUTLIER -67.05 148.86 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.99 143.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -84.94 151.33 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.572 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.2 mm? -108.44 -47.9 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.5 m -97.9 125.28 42.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.3 -44.46 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 108.265 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 54.0 t -120.57 -2.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.39 -90.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -172.67 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -95.45 12.34 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.481 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -111.79 161.13 16.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 101' ' ' LYS . 22.0 t -84.79 152.98 23.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 2.6 m -69.16 69.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' CD ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -81.77 114.35 49.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.467 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.98 157.92 42.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 127.86 15.28 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.973 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.424 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -138.18 93.44 11.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 18.4 Cg_endo -74.98 69.74 5.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 84.91 134.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 106' ' ' ALA . 34.8 m -47.67 172.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -20.81 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -120.97 139.23 28.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.3 7.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.1 m -119.54 4.71 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 109' ' ' ASP . . . -106.23 123.0 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.17 -169.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.4 135.05 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -146.91 162.55 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.7 m -144.94 95.31 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -42.54 -48.55 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -117.14 -171.56 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -57.32 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.55 42.87 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -133.31 15.18 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -178.21 109.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.6 m -145.74 105.72 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.3 m-85 -144.76 -172.2 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.6 112.93 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 126' ' ' ARG . 1.6 p -84.37 130.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 115' ' ' TYR . 5.3 mt -135.15 35.25 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -95.09 179.13 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.56 -80.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -104.56 23.46 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 129' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 38.5 t -94.15 -3.9 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.41 -88.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -179.96 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -98.63 18.12 17.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 11.5 t-20 -106.96 138.88 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 100' ' ' CYS . 3.5 t -88.18 52.28 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 61.39 117.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 99.29 13.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.482 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 156.31 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.95 127.63 14.81 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.063 -2.474 . . . . 0.0 111.001 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -134.87 99.78 12.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 86.08 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.81 133.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.1 t -45.16 166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.272 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -21.01 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 52.1 m-20 -127.14 144.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 2.63 6.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 129' ' ' SER . 1.8 t -127.06 11.57 7.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . . . -106.9 110.92 23.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -105.98 -178.52 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.038 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.1 109.08 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 108.249 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -97.76 128.66 44.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 15.5 m -117.69 100.94 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.359 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -45.66 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.28 -70.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -166.12 -61.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -118.37 3.58 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.08 152.98 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.48 70.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.7 t -132.06 116.12 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.2 m-85 -148.51 173.98 12.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -59.38 141.41 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.581 ' HG2' ' CD2' ' A' ' 115' ' ' TYR . 19.3 tpp180 -154.26 158.21 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 2.2 p -103.24 150.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 115' ' ' TYR . 2.3 mm? -123.39 -54.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.447 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER -74.95 -159.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.04 -46.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -97.52 49.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 100' ' ' CYS . 21.2 t -94.41 -7.92 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . 64.93 -83.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.57 -33.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.1 mtt85 -99.09 14.82 27.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.475 HD21 ' N ' ' A' ' 99' ' ' SER . 0.1 OUTLIER -105.44 142.85 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.475 ' N ' HD21 ' A' ' 98' ' ' ASN . 37.9 t -79.61 63.4 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 4.5 m 40.55 82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.441 ' NZ ' ' OD1' ' A' ' 98' ' ' ASN . 3.7 ptpp? -79.35 147.22 68.09 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.469 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 156.52 43.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -74.99 0.51 16.45 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.98 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 70.55 85.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 57.38 4.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.09 18.43 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 19.6 t 73.03 157.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.88 9.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.54 132.2 20.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 46.8 m -112.68 3.32 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.09 131.34 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.2 -168.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.058 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 74.8 m -84.54 105.99 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.561 ' CE1' HD12 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -105.01 133.08 50.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.34 86.5 2.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -44.49 -51.81 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -103.11 165.3 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.72 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.72 17.23 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.1 m -118.61 165.92 13.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.7 82.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 95.4 m -127.97 103.46 7.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 97' ' ' ARG . 20.3 m-85 -145.51 173.98 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -64.18 128.37 35.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -152.84 146.48 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.67 162.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 115' ' ' TYR . 3.9 mm? -108.96 -44.93 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 m -104.85 134.68 47.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 76.67 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.61 -47.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.297 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 32.0 t -95.2 -6.0 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.14 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -173.51 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 124' ' ' TYR . 6.8 mtt180 -99.44 19.35 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -119.05 158.54 25.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.2 t -75.3 149.16 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 2.5 m -69.26 77.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 5.1 ptmt -74.96 113.63 26.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.476 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 159.16 41.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 127.63 14.82 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.022 -0.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.429 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -144.39 90.74 6.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.03 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.07 122.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.74 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -20.91 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 130.05 24.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.46 7.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.9 m -115.69 6.24 14.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.8 122.6 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.5 -163.97 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 82.6 m -84.69 151.57 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.535 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.1 OUTLIER -150.81 114.2 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 123' ' ' CYS . 77.3 m -108.57 107.24 17.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -48.75 -45.54 39.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.35 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.9 -66.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.0 45.32 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.96 -60.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.03 112.19 4.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.5 t -141.12 127.88 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.1 m-85 -143.89 -178.82 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.502 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 3.1 m -80.4 108.04 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.535 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.09 157.41 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.9 m -85.95 162.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.13 -45.03 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -104.59 107.98 19.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 73.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.2 m120 -145.09 -46.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 46.9 t -94.86 128.89 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.59 -89.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -164.57 -42.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 124' ' ' TYR . 31.2 mtp180 -94.8 8.87 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.411 ' N ' ' HB3' ' A' ' 124' ' ' TYR . 3.2 t-20 -106.42 155.67 19.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 t -68.04 159.1 31.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 2.0 m -56.82 -33.69 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 ptmt 44.71 63.83 8.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.504 ' HA ' ' N ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 154.63 42.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 124.46 10.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.985 -0.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -96.01 128.82 35.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 54.59 3.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 69.42 120.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -42.98 162.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 94' ' ' VAL . 71.8 m -54.73 -21.13 9.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.76 138.84 29.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.77 7.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.56 7.58 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.15 119.42 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.63 -164.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 138.26 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CB ' ' HB2' ' A' ' 126' ' ' ARG . 1.1 t80 -143.6 117.62 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 24.5 m -104.7 124.36 49.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -71.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.538 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 24.3 m-85 -87.83 -4.37 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 78.1 -53.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 48.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.465 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -150.67 -61.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.01 134.45 28.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.62 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 17.2 t -145.31 122.18 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 108.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.2 m-85 -145.45 -177.39 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -64.25 164.61 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.448 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER 171.64 150.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.0 m -84.7 151.86 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -105.08 -24.85 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 p 48.25 -175.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.55 -57.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -115.64 17.6 16.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 108.274 -179.973 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.45 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 27.9 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 11.9 t -94.98 131.82 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.92 -92.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.37 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.377 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 5.1 mtp180 -94.52 11.61 30.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -109.51 152.94 24.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 171.08 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.54 88.25 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 102' ' ' PRO . 10.3 tttp -74.83 142.39 76.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.02 159.61 41.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 1.07 16.17 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.989 0.06 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 60.95 91.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -159.47 26.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.2 t 60.93 153.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.45 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -75.05 58.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER 164.05 123.18 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 1.98 7.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 1.3 m -122.98 5.09 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 109' ' ' ASP . . . -117.16 118.62 32.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -119.34 -164.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 90.7 m -83.83 130.35 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.361 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.561 ' CE1' HD22 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -145.68 145.42 30.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.72 127.2 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.97 -62.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.02 -171.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.08 -76.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -120.79 33.65 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.6 p -149.87 175.73 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.5 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -138.81 123.05 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.3 m-85 -143.86 -176.97 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -77.81 110.24 12.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 127' ' ' VAL . 0.0 OUTLIER -121.01 157.5 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -86.81 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.561 HD22 ' CE1' ' A' ' 115' ' ' TYR . 15.0 mt -135.01 26.91 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.46 -160.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.02 -47.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -100.14 37.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.297 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 CA--C 1.572 1.819 0 CA-C-O 121.457 0.646 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.6 t -79.81 94.77 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 119.686 -1.884 . . . . 0.0 109.929 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 165.38 24.89 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -57.96 -45.83 86.07 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.14 66.18 0.63 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.716 1.246 . . . . 0.0 111.367 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -157.79 141.34 15.52 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 124.54 1.136 . . . . 0.0 109.403 -170.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -67.13 148.41 51.88 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.5 m -65.3 100.43 0.47 Allowed 'General case' 0 CA--C 1.577 2.0 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -121.42 88.39 46.07 Favored Pre-proline 0 CA--C 1.58 2.134 0 C-N-CA 123.899 0.88 . . . . 0.0 111.647 -158.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.92 161.33 39.14 Favored 'Trans proline' 0 CA--C 1.583 2.964 0 C-N-CA 122.548 2.165 . . . . 0.0 116.547 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.11 114.96 3.61 Favored 'Cis proline' 0 CA--C 1.569 2.228 0 CA-C-N 122.935 2.084 . . . . 0.0 115.36 7.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.08 129.48 20.0 Favored Pre-proline 0 CA--C 1.572 1.821 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.595 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.22 73.57 5.89 Favored 'Trans proline' 0 CA--C 1.572 2.394 0 C-N-CA 122.755 2.304 . . . . 0.0 113.78 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . 0.349 . . 56.81 -126.05 1.88 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -166.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 63.1 m -103.19 169.59 8.46 Favored 'General case' 0 CA--C 1.576 1.973 0 O-C-N 120.975 -1.078 . . . . 0.0 112.688 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.64 -35.68 72.9 Favored 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 118.776 2.88 . . . . 0.0 118.776 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -106.84 145.17 30.54 Favored Pre-proline 0 CA--C 1.587 2.402 0 CA-C-N 119.337 0.972 . . . . 0.0 110.738 164.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.05 -16.01 32.23 Favored 'Trans proline' 0 CA--C 1.569 2.252 0 N-CA-C 121.192 3.497 . . . . 0.0 121.192 -162.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.3 m -86.49 -1.31 57.49 Favored 'General case' 0 CA--C 1.584 2.269 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.53 145.37 30.12 Favored 'General case' 0 CA--C 1.571 1.773 0 O-C-N 120.613 -1.304 . . . . 0.0 113.928 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -137.65 157.66 46.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.941 -1.1 . . . . 0.0 113.677 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.1 126.54 28.95 Favored 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -126.3 99.51 5.89 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.391 0.677 . . . . 0.0 111.075 -172.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.07 160.75 29.48 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -99.5 -59.69 1.67 Allowed 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 165.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -136.54 93.35 2.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.103 -0.998 . . . . 0.0 109.765 -166.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . 0.349 59.7 t80 64.79 -87.62 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 124.571 1.149 . . . . 0.0 113.908 -173.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -122.2 7.75 9.71 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.2 t -79.67 140.26 37.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.366 -2.083 . . . . 0.0 113.455 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . 0.263 . . 53.85 55.94 7.79 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 117.529 2.418 . . . . 0.0 117.529 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.98 99.48 9.95 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 124.146 0.979 . . . . 0.0 112.562 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.501 2.105 0 C-N-CA 123.501 0.72 . . . . 0.0 111.097 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.38 133.54 43.81 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 119.616 -1.927 . . . . 0.0 115.511 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 124.26 28.12 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.859 0.864 . . . . 0.0 110.739 -167.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.3 m -76.81 82.12 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-O 122.517 1.151 . . . . 0.0 111.67 167.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.05 -37.37 66.88 Favored 'General case' 0 CA--C 1.572 1.827 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.8 t -72.25 142.06 48.95 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.7 mt -81.98 -49.96 9.67 Favored 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.76 -80.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.851 0 CA-C-N 120.12 1.327 . . . . 0.0 110.634 169.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.488 1.468 0 CA-C-N 120.102 1.319 . . . . 0.0 109.743 163.653 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 26.6 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.663 HG23 ' HA ' ' A' ' 107' ' ' CYS . 21.2 t -94.58 -9.02 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 66.39 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.38 -34.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -100.02 13.03 35.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 16.4 t-20 -103.05 140.1 37.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -78.91 62.26 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 35.5 m 41.96 79.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 156.03 86.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 160.07 40.59 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.54 16.43 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.017 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 59.61 83.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -68.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.77 23.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.663 ' HA ' HG23 ' A' ' 94' ' ' VAL . 49.1 t 66.84 162.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.464 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.1 OUTLIER -55.02 -20.81 10.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.33 134.6 14.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.95 8.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.424 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -110.31 -2.01 16.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.87 121.57 45.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -104.9 -169.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 102.17 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HB2' ' CB ' ' A' ' 126' ' ' ARG . 2.0 t80 -89.28 125.95 35.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.7 110.24 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 108.258 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -56.02 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -110.75 -60.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -171.44 -62.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -119.64 0.5 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -113.73 139.56 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.46 67.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 88.6 m -120.54 112.98 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.2 m-85 -146.26 169.17 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -57.96 149.63 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -171.98 151.8 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.5 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.3 p -89.05 158.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 128' ' ' LEU . 2.1 mm? -112.48 -36.9 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -76.38 -1.57 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.9 mp 65.98 -74.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' SER . 70.5 m-80 -97.22 50.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 95' ' ' ALA . 56.4 t -107.68 -114.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.6 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -176.0 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.89 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.431 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 6.0 mtt180 -103.89 8.81 36.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 2.4 m120 -116.52 154.39 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.8 t -70.08 167.77 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -77.14 93.32 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -74.73 160.88 79.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.538 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 161.16 39.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 0.88 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.008 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 72.31 76.42 0.22 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -80.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.72 23.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.8 t 62.14 165.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -20.87 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.07 129.08 25.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.53 7.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 69.8 m -116.22 -3.5 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.64 142.19 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.1 m -129.53 -169.72 2.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.48 106.26 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.88 ' CE1' HD11 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -105.05 141.41 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 116.58 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 2.2 mtt180 -61.75 -41.54 97.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -125.64 171.34 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -37.38 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -125.23 32.53 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.78 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 62.43 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -145.17 111.06 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.9 m-85 -143.82 171.73 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 96' ' ' THR . 1.1 m -65.36 133.35 51.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.728 ' NH1' HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -150.93 146.39 26.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.905 ' C ' HD22 ' A' ' 128' ' ' LEU . 7.2 p -109.57 160.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.905 HD22 ' C ' ' A' ' 127' ' ' VAL . 1.7 mm? -134.66 -46.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -74.9 68.05 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 45.37 -165.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -94.86 14.2 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 82.6 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 125' ' ' CYS . 35.2 t -100.15 -9.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.24 -88.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -175.06 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 mtt85 -95.82 7.87 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -106.44 159.28 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' LYS . 23.0 t -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.1 m -62.98 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 108.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' SER . 7.9 ptmt -74.93 154.13 86.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.55 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 159.87 40.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.06 0.58 16.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.978 0.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.441 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.64 71.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.95 121.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.5 t -44.47 165.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -36.02 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -122.05 136.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.01 8.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.708 ' O ' HG23 ' A' ' 127' ' ' VAL . 3.3 m -111.81 -0.46 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.9 124.32 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.5 OUTLIER -112.45 -169.06 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 131.44 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.978 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -134.94 122.8 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ARG . 64.2 m -110.26 95.1 5.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . 11.4 mtm180 -38.61 -50.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 117' ' ' ARG . 32.7 m-85 -140.39 -164.49 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.46 -71.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -124.0 55.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.5 m -114.7 -70.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.06 136.78 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.7 t -145.07 120.54 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.3 m-85 -146.75 -173.98 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.426 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -75.62 116.33 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.3 148.24 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 111' ' ' CYS . 1.4 p -85.01 150.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.978 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.8 mm? -120.35 -51.16 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.0 m -90.92 -173.44 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -161.52 29.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -130.67 23.03 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.31 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 40.3 t -94.9 -10.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.33 -89.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.41 -39.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 8.4 mtt180 -95.59 10.18 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.45 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 13.7 t30 -108.77 158.43 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 26.3 t -87.42 154.49 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.28 83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 99' ' ' SER . 1.9 ptmm? -74.74 154.78 87.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 160.25 40.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.33 16.57 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.066 -2.473 . . . . 0.0 110.985 -0.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.63 70.43 0.5 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.75 116.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.7 t -44.44 163.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -21.15 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.62 24.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.765 ' O ' HG23 ' A' ' 127' ' ' VAL . 57.1 m -118.79 1.82 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 126' ' ' ARG . . . -107.2 128.52 54.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -121.58 -159.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.33 128.67 34.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 108.349 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.832 ' CE2' HD11 ' A' ' 128' ' ' LEU . 1.1 t80 -135.01 120.43 19.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.68 108.51 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.98 -51.73 4.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -120.42 -65.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -179.73 -66.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -125.0 45.94 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.76 -60.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -149.09 134.67 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 37.1 m -141.65 128.11 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.248 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.9 m-85 -144.02 -172.89 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.432 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -75.9 141.96 42.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.579 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.87 152.91 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 111' ' ' CYS . 9.2 p -124.35 146.68 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.832 HD11 ' CE2' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -126.02 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.473 ' HB3' ' CA ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -134.71 9.18 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.88 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -107.56 29.93 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.473 ' CA ' ' HB3' ' A' ' 129' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.651 HG11 ' SG ' ' A' ' 125' ' ' CYS . 11.5 t -94.61 -4.36 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.53 -87.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 124' ' ' TYR . 0.8 OUTLIER 174.37 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 23.7 mtt180 -98.37 20.27 12.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' SER . 54.3 t-20 -109.36 141.04 42.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 7.7 t -78.62 72.11 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.499 ' O ' HG13 ' A' ' 94' ' ' VAL . 10.4 m 66.95 -73.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 66.71 63.82 0.82 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.538 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 126.03 12.18 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.034 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.534 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -143.74 93.22 6.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.613 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 78.35 120.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 4.7 m -54.09 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -21.01 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.23 141.51 34.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.65 7.51 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.55 9.86 10.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -107.32 123.07 47.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -116.87 -173.71 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.4 134.52 34.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.58 ' HE2' HD21 ' A' ' 128' ' ' LEU . 2.3 t80 -134.61 140.34 46.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.82 108.12 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 108.261 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -42.75 -52.87 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.9 -59.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 177.47 -64.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -125.08 36.44 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.2 m -117.62 -65.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.89 129.24 18.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.616 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 35.1 m -142.92 127.65 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.8 m-85 -145.66 176.26 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.651 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -76.33 109.63 10.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.65 154.11 28.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.8 p -85.05 143.94 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.58 HD21 ' HE2' ' A' ' 115' ' ' TYR . 3.6 mt -134.13 37.68 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.21 -159.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.0 tt -157.36 -49.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.33 13.16 16.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.242 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.681 HG11 ' SG ' ' A' ' 125' ' ' CYS . 3.6 t -96.14 138.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.78 -91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -171.69 -39.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -98.09 14.49 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 4.6 m-20 -112.37 155.13 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 t -74.97 150.5 39.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.02 85.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -74.94 150.73 86.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.566 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 154.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.566 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 1.05 16.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.012 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 67.06 63.59 0.77 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.0 54.08 3.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . 61.13 121.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 10.0 m -43.84 164.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 60.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 0.4 OUTLIER 165.57 133.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.52 7.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.4 m -121.41 7.25 10.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 108.282 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -105.73 114.38 28.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 6.1 m -119.09 -170.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 131.89 34.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.249 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.731 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -138.94 139.32 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 8.5 t -135.81 107.36 6.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 108.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -49.28 -55.26 13.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -97.63 176.16 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -48.84 -76.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -124.51 50.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.21 139.16 22.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 51.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.579 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 m -143.82 120.94 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.5 m-85 -143.0 -179.16 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.681 ' SG ' HG11 ' A' ' 94' ' ' VAL . 2.3 m -75.89 108.28 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 108.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.404 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -117.35 155.68 29.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.468 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.4 p -86.93 133.59 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.731 HD11 ' CE1' ' A' ' 115' ' ' TYR . 4.6 mm? -121.43 50.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.65 -154.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 130' ' ' LEU . 11.8 mt -157.29 -59.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -109.31 19.06 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -134.08 155.2 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 98' ' ' ASN . . . -69.48 160.65 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -75.33 -20.94 58.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -105.13 26.21 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.515 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 2.2 t30 -130.94 156.24 45.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.4 t -70.79 148.13 48.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.4 p -62.91 90.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 108.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.672 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -74.08 152.88 88.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.555 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 153.87 41.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 1.92 15.43 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 101' ' ' LYS . . . 55.8 88.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -61.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . -173.9 32.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 106' ' ' ALA . 6.7 m 53.22 174.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.53 58.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER 165.46 127.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.21 6.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.24 10.61 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.31 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.18 126.13 54.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -118.58 -179.07 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.39 104.12 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.648 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -103.78 112.08 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.67 98.81 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.471 ' C ' ' CD1' ' A' ' 118' ' ' PHE . 2.3 mtt-85 -47.08 -37.28 9.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 117' ' ' ARG . 83.7 m-85 -158.09 -169.24 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.38 -71.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -123.47 54.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 118' ' ' PHE . 1.5 t -120.79 -69.7 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -157.4 133.22 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 53.7 t -144.43 120.47 10.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.5 m-85 -144.03 175.7 9.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 4.3 m -77.91 101.06 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -113.17 155.29 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -84.69 163.64 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.648 HD11 ' CE1' ' A' ' 115' ' ' TYR . 1.8 mm? -127.37 24.04 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.45 144.6 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -55.22 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -102.04 55.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 46.1 t -94.75 -9.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 65.77 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.33 -39.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.441 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.8 mtp180 -97.63 13.16 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -109.4 147.07 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' LYS . 47.9 t -76.85 153.48 34.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.55 87.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.3 OUTLIER -75.03 146.35 82.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.548 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 159.48 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.85 16.22 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.016 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.445 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 67.21 74.76 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.06 122.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.1 t -45.37 167.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -21.18 10.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -134.05 140.52 36.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.1 8.12 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.956 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -116.66 4.25 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.97 119.9 40.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -111.14 -164.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 137.46 33.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 4.0 t80 -134.9 147.4 49.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.2 m -144.78 99.09 3.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 18.23 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -133.06 6.81 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.6 t80 69.49 -64.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 23.39 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -154.93 176.16 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 40.39 70.89 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.607 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 16.8 m -111.39 106.41 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.1 m-85 -144.24 171.96 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -61.65 160.56 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER 179.98 153.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 111' ' ' CYS . 2.3 p -104.36 141.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.482 HD23 ' HE2' ' A' ' 115' ' ' TYR . 0.5 OUTLIER -111.54 47.42 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.2 t -165.04 149.26 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.09 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -100.26 56.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.538 HG12 ' SG ' ' A' ' 125' ' ' CYS . 26.8 t -135.25 112.78 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.93 147.08 54.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -54.99 -17.34 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.77 10.43 30.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.465 ' HB3' HG13 ' A' ' 94' ' ' VAL . 41.7 t-20 -105.0 134.53 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.376 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.5 t -78.37 55.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m 41.69 85.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -74.36 157.86 85.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.572 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.0 Cg_endo -75.05 157.48 42.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.572 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.0 -0.39 17.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.012 0.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.407 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.37 71.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.02 6.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.58 -110.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.405 ' HA ' ' HB ' ' A' ' 94' ' ' VAL . 24.8 t -178.2 159.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 108.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -19.72 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 108.349 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.34 125.96 21.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 127' ' ' VAL . 20.8 p -113.36 -1.16 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 126' ' ' ARG . . . -106.44 133.41 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -118.32 -167.35 1.34 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 109.982 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 84.3 m -84.37 106.45 15.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.862 ' CE1' HD11 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -104.88 146.21 29.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 6.5 t -146.3 124.02 11.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -55.63 22.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -100.49 -70.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.83 -61.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 39.97 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -51.74 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -153.09 113.99 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.8 m -137.37 119.87 15.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.7 m-85 -144.62 168.03 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.538 ' SG ' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.34 135.27 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.548 ' NH1' HD13 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -150.34 152.43 34.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.696 ' C ' HD22 ' A' ' 128' ' ' LEU . 4.3 p -113.58 153.48 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.862 HD11 ' CE1' ' A' ' 115' ' ' TYR . 2.2 mm? -128.65 47.09 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.0 m -159.92 125.17 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.11 48.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -145.09 34.89 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.695 HG11 ' SG ' ' A' ' 125' ' ' CYS . 21.0 t -94.85 0.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.72 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.64 -33.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.406 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 7.5 mtt180 -98.79 10.02 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 2.4 t30 -111.14 157.6 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.63 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.1 t -73.97 162.91 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.86 93.57 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.316 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.52 152.52 87.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.567 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 155.97 42.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.567 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.01 1.88 15.43 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.024 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.33 63.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -49.13 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.25 125.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.8 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.92 9.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -130.08 140.6 39.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 1.0 8.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 127' ' ' VAL . 93.4 m -110.67 -4.58 15.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.61 127.05 48.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -121.54 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 137.12 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.531 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 0.8 OUTLIER -142.5 125.08 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.1 m -116.49 112.64 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.505 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 18.2 mtp85 -56.9 -39.22 74.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -132.05 174.52 10.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -40.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -125.08 51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.51 139.31 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 55.35 103.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 72.1 m -145.03 113.98 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.1 m-85 -143.71 -175.35 4.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.695 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.5 m -85.99 121.08 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 5.2 tpp180 -142.14 153.29 43.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.512 ' C ' HD22 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -84.43 144.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 127' ' ' VAL . 2.3 mm? -106.73 -33.01 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.2 m -83.77 -156.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -164.82 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.13 62.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.467 HG12 ' SG ' ' A' ' 125' ' ' CYS . 3.4 t -95.9 130.6 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.33 147.71 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -18.41 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -110.09 23.27 14.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 1.6 m120 -133.71 148.5 51.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.7 t -76.23 159.77 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.9 m -64.14 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -76.02 145.16 76.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.565 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.0 157.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.97 1.05 16.02 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.045 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 67.72 64.18 0.68 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.3 Cg_endo -74.97 55.16 3.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 69.33 124.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.5 t -54.66 163.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -20.47 13.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 108.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.43 18.23 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.86 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.439 ' O ' HG23 ' A' ' 127' ' ' VAL . 13.6 t -107.85 -0.83 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 108.318 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.63 128.05 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.367 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -109.94 -167.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.69 106.09 15.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 1.139 ' CD1' HD21 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -105.08 125.19 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.93 104.59 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.252 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -56.37 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.7 OUTLIER -87.71 8.25 26.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 3.2 t80 77.24 -52.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -114.37 -8.0 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 19.9 m -133.1 169.94 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.11 74.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.568 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.3 t -112.07 117.41 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.2 m-85 -142.41 169.76 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.467 ' SG ' HG12 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -60.29 150.82 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.58 149.57 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.459 ' C ' HD22 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -85.07 137.01 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.139 HD21 ' CD1' ' A' ' 115' ' ' TYR . 2.1 mm? -132.68 45.55 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 m -163.44 120.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 59.1 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -127.49 -44.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.519 HG11 ' SG ' ' A' ' 125' ' ' CYS . 3.0 t -112.13 140.53 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.04 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -170.5 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.5 mtt180 -96.22 9.51 40.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 1.3 t30 -114.08 167.26 10.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.499 ' O ' HG13 ' A' ' 94' ' ' VAL . 40.5 t -79.39 -176.42 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 50.7 m -80.25 -18.67 48.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 100' ' ' CYS . 19.1 ptmt 46.99 64.04 9.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.569 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 158.23 42.4 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.569 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 125.68 11.68 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.995 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.557 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -155.81 161.02 30.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.63 -173.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -80.07 177.76 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 58.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.14 137.03 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 127' ' ' VAL . 66.6 m -114.97 0.98 13.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -108.32 119.25 38.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -120.38 -180.0 4.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 102.55 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 1.058 ' CE1' HD21 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -104.29 132.87 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.93 110.14 19.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 108.318 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -60.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -98.3 -59.55 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 176.66 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.7 34.99 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 m -150.8 139.94 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.08 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 54.1 t -116.51 132.37 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.2 m-85 -144.27 -172.28 3.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.519 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.3 m -86.39 111.92 20.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.428 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.58 158.75 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 111' ' ' CYS . 0.8 OUTLIER -84.69 145.38 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.058 HD21 ' CE1' ' A' ' 115' ' ' TYR . 12.3 mt -135.24 28.94 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.2 m -145.48 171.36 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.0 25.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -136.62 42.93 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.304 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.86 134.84 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.73 -94.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.33 -41.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.43 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 61.9 mtt180 -94.48 10.75 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 5.7 m-20 -112.23 151.89 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.3 t -69.63 164.43 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.34 93.32 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -74.73 153.11 87.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.554 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 161.57 38.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.99 0.74 16.31 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.025 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 70.42 69.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.17 122.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.22 156.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 108.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -20.58 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -125.11 130.93 24.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 1.55 7.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 132' ' ' CYS . 0.8 OUTLIER -110.11 2.75 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.7 133.36 56.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 6.6 m -126.82 -165.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 97.9 m -84.53 126.26 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.41 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -135.1 136.08 41.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 38.7 m -110.38 99.37 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -50.15 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -91.89 8.55 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.5 t80 75.76 -54.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.68 8.88 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.33 169.26 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 42.71 71.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 t -113.36 121.06 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 15.0 m-85 -143.16 179.01 7.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -71.68 111.5 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' CB ' ' CB ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -131.59 148.18 52.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.62 169.47 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.02 -46.57 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -159.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.95 44.63 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -114.6 -36.47 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 99' ' ' SER . 95.8 t -94.86 -6.25 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.48 -99.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.69 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.07 21.45 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.1 t-20 -123.24 159.06 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.844 ' O ' HG13 ' A' ' 94' ' ' VAL . 47.4 t -75.13 165.81 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.684 ' HA ' HG21 ' A' ' 94' ' ' VAL . 61.6 m -70.42 61.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -90.46 132.14 36.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.572 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.97 157.73 42.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.572 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.94 127.77 15.06 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.525 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -135.0 93.07 17.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.08 57.77 4.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 84.07 16.59 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 106' ' ' ALA . 5.0 t 87.13 164.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -21.01 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 135.91 28.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.17 8.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.781 ' O ' HG23 ' A' ' 127' ' ' VAL . 2.6 m -113.89 3.8 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.38 136.56 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -126.82 -174.78 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.1 m -84.39 102.66 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.799 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -105.11 149.13 26.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.9 m -133.76 109.13 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 mtm180 -43.41 -43.49 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -130.98 -175.67 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.74 -64.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -124.32 50.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.94 126.87 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 59.94 113.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 51.6 m -144.45 102.08 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 21.6 m-85 -143.49 -178.72 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.8 OUTLIER -67.05 148.86 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.99 143.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -84.94 151.33 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.799 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.2 mm? -108.44 -47.9 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.5 m -97.9 125.28 42.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.3 -44.46 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 108.265 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 100' ' ' CYS . 54.0 t -120.57 -2.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.39 -90.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.67 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -95.45 12.34 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.481 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -111.79 161.13 16.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.462 ' O ' HG13 ' A' ' 94' ' ' VAL . 22.0 t -84.79 152.98 23.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.655 ' HA ' HG21 ' A' ' 94' ' ' VAL . 2.6 m -69.16 69.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.507 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -81.77 114.35 49.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.551 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.98 157.92 42.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 127.86 15.28 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.973 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.525 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -138.18 93.44 11.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.4 Cg_endo -74.98 69.74 5.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 84.91 134.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 106' ' ' ALA . 34.8 m -47.67 172.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -20.81 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.97 139.23 28.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.3 7.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.1 m -119.54 4.71 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.23 123.0 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -114.17 -169.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.4 135.05 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 1.133 ' CZ ' HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -146.91 162.55 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 85.7 m -144.94 95.31 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -42.54 -48.55 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -117.14 -171.56 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -57.32 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.55 42.87 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -133.31 15.18 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . -178.21 109.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.6 m -145.74 105.72 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.3 m-85 -144.76 -172.2 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.465 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.3 m -88.6 112.93 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.471 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 126' ' ' ARG . 1.6 p -84.37 130.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.133 HD21 ' CZ ' ' A' ' 115' ' ' TYR . 5.3 mt -135.15 35.25 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -95.09 179.13 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.56 -80.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -104.56 23.46 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 129' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 38.5 t -94.15 -3.9 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.41 -88.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -179.96 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -98.63 18.12 17.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 11.5 t-20 -106.96 138.88 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 100' ' ' CYS . 3.5 t -88.18 52.28 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 61.39 117.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 99.29 13.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.562 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 156.31 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.95 127.63 14.81 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.063 -2.474 . . . . 0.0 111.001 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.524 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -134.87 99.78 12.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 86.08 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.81 133.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.1 t -45.16 166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.272 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -21.01 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.531 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 52.1 m-20 -127.14 144.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 2.63 6.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 129' ' ' SER . 1.8 t -127.06 11.57 7.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -106.9 110.92 23.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -105.98 -178.52 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.038 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.1 109.08 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 108.249 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 1.008 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -97.76 128.66 44.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 15.5 m -117.69 100.94 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.359 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -45.66 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.28 -70.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -166.12 -61.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -118.37 3.58 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.08 152.98 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.48 70.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.7 t -132.06 116.12 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.2 m-85 -148.51 173.98 12.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -59.38 141.41 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.581 ' HG2' ' CD2' ' A' ' 115' ' ' TYR . 19.3 tpp180 -154.26 158.21 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.754 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.2 p -103.24 150.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.008 HD11 ' CE1' ' A' ' 115' ' ' TYR . 2.3 mm? -123.39 -54.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.449 ' O ' HD12 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -74.95 -159.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 129' ' ' SER . 0.2 OUTLIER -155.04 -46.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -97.52 49.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.603 HG23 ' HA ' ' A' ' 107' ' ' CYS . 21.2 t -94.41 -7.92 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.93 -83.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.57 -33.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.1 mtt85 -99.09 14.82 27.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.495 ' HB3' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -105.44 142.85 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.49 ' N ' HD22 ' A' ' 98' ' ' ASN . 37.9 t -79.61 63.4 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 4.5 m 40.55 82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.424 ' HB3' ' ND2' ' A' ' 98' ' ' ASN . 3.7 ptpp? -79.35 147.22 68.09 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.557 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 156.52 43.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -74.99 0.51 16.45 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.98 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 70.55 85.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 57.38 4.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.09 18.43 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.603 ' HA ' HG23 ' A' ' 94' ' ' VAL . 19.6 t 73.03 157.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.88 9.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.54 132.2 20.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 46.8 m -112.68 3.32 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.09 131.34 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.5 OUTLIER -118.2 -168.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.058 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 74.8 m -84.54 105.99 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.499 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.7 OUTLIER -105.01 133.08 50.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.34 86.5 2.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -44.49 -51.81 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -103.11 165.3 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.72 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.72 17.23 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.1 m -118.61 165.92 13.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.7 82.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 95.4 m -127.97 103.46 7.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 97' ' ' ARG . 20.3 m-85 -145.51 173.98 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -64.18 128.37 35.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -152.84 146.48 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.67 162.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.9 mm? -108.96 -44.93 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 m -104.85 134.68 47.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 76.67 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.61 -47.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.297 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.698 HG11 ' SG ' ' A' ' 125' ' ' CYS . 32.0 t -95.2 -6.0 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.14 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -173.51 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 124' ' ' TYR . 6.8 mtt180 -99.44 19.35 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -119.05 158.54 25.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.598 ' O ' HG13 ' A' ' 94' ' ' VAL . 38.2 t -75.3 149.16 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.611 ' HA ' HG21 ' A' ' 94' ' ' VAL . 2.5 m -69.26 77.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 5.1 ptmt -74.96 113.63 26.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.567 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 159.16 41.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.567 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 127.63 14.82 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.022 -0.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.528 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -144.39 90.74 6.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.03 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.07 122.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.74 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -20.91 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 130.05 24.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.46 7.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.9 m -115.69 6.24 14.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.8 122.6 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -105.5 -163.97 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 82.6 m -84.69 151.57 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.1 OUTLIER -150.81 114.2 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 123' ' ' CYS . 77.3 m -108.57 107.24 17.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -48.75 -45.54 39.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.35 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.9 -66.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.0 45.32 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.96 -60.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.03 112.19 4.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.5 t -141.12 127.88 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.1 m-85 -143.89 -178.82 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.698 ' SG ' HG11 ' A' ' 94' ' ' VAL . 3.1 m -80.4 108.04 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.534 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.09 157.41 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.9 m -85.95 162.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.13 -45.03 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -104.59 107.98 19.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 73.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.2 m120 -145.09 -46.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.632 HG12 ' HB2' ' A' ' 125' ' ' CYS . 46.9 t -94.86 128.89 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.59 -89.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -164.57 -42.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 124' ' ' TYR . 31.2 mtp180 -94.8 8.87 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.412 ' N ' ' HB3' ' A' ' 124' ' ' TYR . 3.2 t-20 -106.42 155.67 19.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 t -68.04 159.1 31.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 2.0 m -56.82 -33.69 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 ptmt 44.71 63.83 8.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.602 ' HA ' ' N ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 154.63 42.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 124.46 10.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.985 -0.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 100' ' ' CYS . . . -96.01 128.82 35.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.3 Cg_endo -74.94 54.59 3.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 69.42 120.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -42.98 162.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 94' ' ' VAL . 71.8 m -54.73 -21.13 9.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.76 138.84 29.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.77 7.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.56 7.58 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.15 119.42 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -115.63 -164.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 138.26 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 126' ' ' ARG . 1.1 t80 -143.6 117.62 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 24.5 m -104.7 124.36 49.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -71.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.538 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 24.3 m-85 -87.83 -4.37 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 78.1 -53.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 48.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.465 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -150.67 -61.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.01 134.45 28.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.62 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 17.2 t -145.31 122.18 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 108.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.2 m-85 -145.45 -177.39 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.632 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -64.25 164.61 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER 171.64 150.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 127' ' ' VAL . 5.0 m -84.7 151.86 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 128' ' ' LEU . 3.2 mm? -105.08 -24.85 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 p 48.25 -175.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.55 -57.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -115.64 17.6 16.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 108.274 -179.973 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 27.9 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 11.9 t -94.98 131.82 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.92 -92.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.37 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.377 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 5.1 mtp180 -94.52 11.61 30.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 10.9 m-80 -109.51 152.94 24.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 171.08 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.54 88.25 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 102' ' ' PRO . 10.3 tttp -74.83 142.39 76.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 159.61 41.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 1.07 16.17 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.989 0.06 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.446 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 60.95 91.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -159.47 26.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.2 t 60.93 153.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -75.05 58.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER 164.05 123.18 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 1.98 7.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.618 ' O ' HG23 ' A' ' 127' ' ' VAL . 1.3 m -122.98 5.09 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 109' ' ' ASP . . . -117.16 118.62 32.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -119.34 -164.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 90.7 m -83.83 130.35 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.361 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.557 ' CE1' HD21 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -145.68 145.42 30.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.72 127.2 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.97 -62.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.02 -171.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.08 -76.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -120.79 33.65 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.6 p -149.87 175.73 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.5 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -138.81 123.05 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.3 m-85 -143.86 -176.97 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.4 OUTLIER -77.81 110.24 12.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 127' ' ' VAL . 0.0 OUTLIER -121.01 157.5 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -86.81 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 115' ' ' TYR . 15.0 mt -135.01 26.91 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.46 -160.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.02 -47.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -100.14 37.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.297 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 CA--C 1.572 1.819 0 CA-C-O 121.457 0.646 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.6 t -79.81 94.77 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 119.686 -1.884 . . . . 0.0 109.929 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 165.38 24.89 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -57.96 -45.83 86.07 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.14 66.18 0.63 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.716 1.246 . . . . 0.0 111.367 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -157.79 141.34 15.52 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 124.54 1.136 . . . . 0.0 109.403 -170.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -67.13 148.41 51.88 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.5 m -65.3 100.43 0.47 Allowed 'General case' 0 CA--C 1.577 2.0 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -121.42 88.39 46.07 Favored Pre-proline 0 CA--C 1.58 2.134 0 C-N-CA 123.899 0.88 . . . . 0.0 111.647 -158.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.92 161.33 39.14 Favored 'Trans proline' 0 CA--C 1.583 2.964 0 C-N-CA 122.548 2.165 . . . . 0.0 116.547 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.11 114.96 3.61 Favored 'Cis proline' 0 CA--C 1.569 2.228 0 CA-C-N 122.935 2.084 . . . . 0.0 115.36 7.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.08 129.48 20.0 Favored Pre-proline 0 CA--C 1.572 1.821 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.595 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.22 73.57 5.89 Favored 'Trans proline' 0 CA--C 1.572 2.394 0 C-N-CA 122.755 2.304 . . . . 0.0 113.78 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . 0.349 . . 56.81 -126.05 1.88 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -166.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 63.1 m -103.19 169.59 8.46 Favored 'General case' 0 CA--C 1.576 1.973 0 O-C-N 120.975 -1.078 . . . . 0.0 112.688 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.64 -35.68 72.9 Favored 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 118.776 2.88 . . . . 0.0 118.776 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -106.84 145.17 30.54 Favored Pre-proline 0 CA--C 1.587 2.402 0 CA-C-N 119.337 0.972 . . . . 0.0 110.738 164.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.05 -16.01 32.23 Favored 'Trans proline' 0 CA--C 1.569 2.252 0 N-CA-C 121.192 3.497 . . . . 0.0 121.192 -162.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.3 m -86.49 -1.31 57.49 Favored 'General case' 0 CA--C 1.584 2.269 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.53 145.37 30.12 Favored 'General case' 0 CA--C 1.571 1.773 0 O-C-N 120.613 -1.304 . . . . 0.0 113.928 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -137.65 157.66 46.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.941 -1.1 . . . . 0.0 113.677 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.1 126.54 28.95 Favored 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -126.3 99.51 5.89 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.391 0.677 . . . . 0.0 111.075 -172.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.07 160.75 29.48 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -99.5 -59.69 1.67 Allowed 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 165.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -136.54 93.35 2.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.103 -0.998 . . . . 0.0 109.765 -166.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . 0.349 59.7 t80 64.79 -87.62 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 124.571 1.149 . . . . 0.0 113.908 -173.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -122.2 7.75 9.71 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.2 t -79.67 140.26 37.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.366 -2.083 . . . . 0.0 113.455 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . 0.263 . . 53.85 55.94 7.79 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 117.529 2.418 . . . . 0.0 117.529 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.98 99.48 9.95 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 124.146 0.979 . . . . 0.0 112.562 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.501 2.105 0 C-N-CA 123.501 0.72 . . . . 0.0 111.097 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.38 133.54 43.81 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 119.616 -1.927 . . . . 0.0 115.511 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 124.26 28.12 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.859 0.864 . . . . 0.0 110.739 -167.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.3 m -76.81 82.12 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-O 122.517 1.151 . . . . 0.0 111.67 167.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.05 -37.37 66.88 Favored 'General case' 0 CA--C 1.572 1.827 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.8 t -72.25 142.06 48.95 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.7 mt -81.98 -49.96 9.67 Favored 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.76 -80.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.851 0 CA-C-N 120.12 1.327 . . . . 0.0 110.634 169.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.488 1.468 0 CA-C-N 120.102 1.319 . . . . 0.0 109.743 163.653 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 26.6 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.663 HG23 ' HA ' ' A' ' 107' ' ' CYS . 21.2 t -94.58 -9.02 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 66.39 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.38 -34.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -100.02 13.03 35.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 16.4 t-20 -103.05 140.1 37.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -78.91 62.26 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 35.5 m 41.96 79.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 156.03 86.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 160.07 40.59 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.54 16.43 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.017 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 59.61 83.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -68.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.77 23.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.663 ' HA ' HG23 ' A' ' 94' ' ' VAL . 49.1 t 66.84 162.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.464 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.1 OUTLIER -55.02 -20.81 10.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.33 134.6 14.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.95 8.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.424 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -110.31 -2.01 16.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.87 121.57 45.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -104.9 -169.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 102.17 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HB2' ' CB ' ' A' ' 126' ' ' ARG . 2.0 t80 -89.28 125.95 35.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.7 110.24 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 108.258 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -56.02 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -110.75 -60.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -171.44 -62.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -119.64 0.5 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -113.73 139.56 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.46 67.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 88.6 m -120.54 112.98 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.2 m-85 -146.26 169.17 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -57.96 149.63 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -171.98 151.8 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.5 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.3 p -89.05 158.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 128' ' ' LEU . 2.1 mm? -112.48 -36.9 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -76.38 -1.57 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.9 mp 65.98 -74.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' SER . 70.5 m-80 -97.22 50.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 95' ' ' ALA . 56.4 t -107.68 -114.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.6 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -176.0 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.89 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.431 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 6.0 mtt180 -103.89 8.81 36.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 2.4 m120 -116.52 154.39 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.8 t -70.08 167.77 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -77.14 93.32 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -74.73 160.88 79.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.538 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 161.16 39.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 0.88 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.008 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 72.31 76.42 0.22 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -80.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.72 23.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.8 t 62.14 165.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -20.87 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.07 129.08 25.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.53 7.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 69.8 m -116.22 -3.5 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.64 142.19 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.1 m -129.53 -169.72 2.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.48 106.26 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.88 ' CE1' HD11 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -105.05 141.41 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 116.58 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 2.2 mtt180 -61.75 -41.54 97.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -125.64 171.34 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -37.38 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -125.23 32.53 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.78 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 62.43 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -145.17 111.06 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.9 m-85 -143.82 171.73 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 96' ' ' THR . 1.1 m -65.36 133.35 51.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.728 ' NH1' HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -150.93 146.39 26.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.905 ' C ' HD22 ' A' ' 128' ' ' LEU . 7.2 p -109.57 160.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.905 HD22 ' C ' ' A' ' 127' ' ' VAL . 1.7 mm? -134.66 -46.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -74.9 68.05 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 45.37 -165.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -94.86 14.2 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 82.6 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 125' ' ' CYS . 35.2 t -100.15 -9.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.24 -88.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -175.06 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 mtt85 -95.82 7.87 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -106.44 159.28 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' LYS . 23.0 t -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.1 m -62.98 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 108.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' SER . 7.9 ptmt -74.93 154.13 86.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.55 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 159.87 40.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.06 0.58 16.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.978 0.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.441 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.64 71.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.95 121.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.5 t -44.47 165.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -36.02 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -122.05 136.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.01 8.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.708 ' O ' HG23 ' A' ' 127' ' ' VAL . 3.3 m -111.81 -0.46 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.9 124.32 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.5 OUTLIER -112.45 -169.06 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 131.44 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.978 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -134.94 122.8 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ARG . 64.2 m -110.26 95.1 5.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . 11.4 mtm180 -38.61 -50.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 117' ' ' ARG . 32.7 m-85 -140.39 -164.49 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.46 -71.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -124.0 55.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.5 m -114.7 -70.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.06 136.78 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.7 t -145.07 120.54 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.3 m-85 -146.75 -173.98 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.426 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -75.62 116.33 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.3 148.24 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 111' ' ' CYS . 1.4 p -85.01 150.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.978 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.8 mm? -120.35 -51.16 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.0 m -90.92 -173.44 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -161.52 29.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -130.67 23.03 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.31 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 40.3 t -94.9 -10.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.33 -89.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.41 -39.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 8.4 mtt180 -95.59 10.18 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.45 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 13.7 t30 -108.77 158.43 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 26.3 t -87.42 154.49 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.28 83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 99' ' ' SER . 1.9 ptmm? -74.74 154.78 87.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 160.25 40.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.33 16.57 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.066 -2.473 . . . . 0.0 110.985 -0.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.63 70.43 0.5 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.75 116.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.7 t -44.44 163.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -21.15 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.62 24.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.765 ' O ' HG23 ' A' ' 127' ' ' VAL . 57.1 m -118.79 1.82 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 126' ' ' ARG . . . -107.2 128.52 54.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -121.58 -159.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.33 128.67 34.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 108.349 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.832 ' CE2' HD11 ' A' ' 128' ' ' LEU . 1.1 t80 -135.01 120.43 19.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.68 108.51 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.98 -51.73 4.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -120.42 -65.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -179.73 -66.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -125.0 45.94 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.76 -60.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -149.09 134.67 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 37.1 m -141.65 128.11 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.248 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.9 m-85 -144.02 -172.89 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.432 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -75.9 141.96 42.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.579 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.87 152.91 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 111' ' ' CYS . 9.2 p -124.35 146.68 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.832 HD11 ' CE2' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -126.02 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.473 ' HB3' ' CA ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -134.71 9.18 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.88 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -107.56 29.93 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.473 ' CA ' ' HB3' ' A' ' 129' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.651 HG11 ' SG ' ' A' ' 125' ' ' CYS . 11.5 t -94.61 -4.36 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.53 -87.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 124' ' ' TYR . 0.8 OUTLIER 174.37 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 23.7 mtt180 -98.37 20.27 12.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' SER . 54.3 t-20 -109.36 141.04 42.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 7.7 t -78.62 72.11 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.499 ' O ' HG13 ' A' ' 94' ' ' VAL . 10.4 m 66.95 -73.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 66.71 63.82 0.82 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.538 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 126.03 12.18 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.034 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.534 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -143.74 93.22 6.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.613 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 78.35 120.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 4.7 m -54.09 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -21.01 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.23 141.51 34.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.65 7.51 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.55 9.86 10.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -107.32 123.07 47.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -116.87 -173.71 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.4 134.52 34.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.58 ' HE2' HD21 ' A' ' 128' ' ' LEU . 2.3 t80 -134.61 140.34 46.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.82 108.12 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 108.261 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -42.75 -52.87 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.9 -59.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 177.47 -64.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -125.08 36.44 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.2 m -117.62 -65.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.89 129.24 18.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.616 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 35.1 m -142.92 127.65 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.8 m-85 -145.66 176.26 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.651 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -76.33 109.63 10.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.65 154.11 28.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.8 p -85.05 143.94 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.58 HD21 ' HE2' ' A' ' 115' ' ' TYR . 3.6 mt -134.13 37.68 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.21 -159.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.0 tt -157.36 -49.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.33 13.16 16.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.242 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.681 HG11 ' SG ' ' A' ' 125' ' ' CYS . 3.6 t -96.14 138.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.78 -91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -171.69 -39.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -98.09 14.49 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 4.6 m-20 -112.37 155.13 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 t -74.97 150.5 39.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.02 85.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -74.94 150.73 86.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.566 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 154.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.566 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 1.05 16.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.012 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 67.06 63.59 0.77 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.0 54.08 3.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . 61.13 121.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 10.0 m -43.84 164.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 60.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 0.4 OUTLIER 165.57 133.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.52 7.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.4 m -121.41 7.25 10.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 108.282 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -105.73 114.38 28.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 6.1 m -119.09 -170.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 131.89 34.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.249 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.731 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -138.94 139.32 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 8.5 t -135.81 107.36 6.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 108.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -49.28 -55.26 13.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -97.63 176.16 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -48.84 -76.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -124.51 50.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.21 139.16 22.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 51.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.579 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 m -143.82 120.94 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.5 m-85 -143.0 -179.16 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.681 ' SG ' HG11 ' A' ' 94' ' ' VAL . 2.3 m -75.89 108.28 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 108.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.404 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -117.35 155.68 29.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.468 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.4 p -86.93 133.59 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.731 HD11 ' CE1' ' A' ' 115' ' ' TYR . 4.6 mm? -121.43 50.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.65 -154.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 130' ' ' LEU . 11.8 mt -157.29 -59.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -109.31 19.06 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -134.08 155.2 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 98' ' ' ASN . . . -69.48 160.65 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -75.33 -20.94 58.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -105.13 26.21 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.515 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 2.2 t30 -130.94 156.24 45.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.4 t -70.79 148.13 48.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.4 p -62.91 90.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 108.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.672 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -74.08 152.88 88.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.555 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 153.87 41.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 1.92 15.43 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 101' ' ' LYS . . . 55.8 88.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -61.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . -173.9 32.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 106' ' ' ALA . 6.7 m 53.22 174.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.53 58.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER 165.46 127.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.21 6.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.24 10.61 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.31 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.18 126.13 54.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -118.58 -179.07 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.39 104.12 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.648 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -103.78 112.08 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.67 98.81 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.471 ' C ' ' CD1' ' A' ' 118' ' ' PHE . 2.3 mtt-85 -47.08 -37.28 9.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 117' ' ' ARG . 83.7 m-85 -158.09 -169.24 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.38 -71.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -123.47 54.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 118' ' ' PHE . 1.5 t -120.79 -69.7 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -157.4 133.22 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 53.7 t -144.43 120.47 10.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.5 m-85 -144.03 175.7 9.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 4.3 m -77.91 101.06 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -113.17 155.29 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -84.69 163.64 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.648 HD11 ' CE1' ' A' ' 115' ' ' TYR . 1.8 mm? -127.37 24.04 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.45 144.6 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -55.22 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -102.04 55.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 46.1 t -94.75 -9.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 65.77 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.33 -39.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.441 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.8 mtp180 -97.63 13.16 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -109.4 147.07 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' LYS . 47.9 t -76.85 153.48 34.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.55 87.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.3 OUTLIER -75.03 146.35 82.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.548 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 159.48 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.85 16.22 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.016 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.445 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 67.21 74.76 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.06 122.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.1 t -45.37 167.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -21.18 10.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -134.05 140.52 36.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.1 8.12 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.956 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -116.66 4.25 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.97 119.9 40.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -111.14 -164.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 137.46 33.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 4.0 t80 -134.9 147.4 49.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.2 m -144.78 99.09 3.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 18.23 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -133.06 6.81 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.6 t80 69.49 -64.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 23.39 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -154.93 176.16 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 40.39 70.89 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.607 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 16.8 m -111.39 106.41 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.1 m-85 -144.24 171.96 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -61.65 160.56 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER 179.98 153.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 111' ' ' CYS . 2.3 p -104.36 141.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.482 HD23 ' HE2' ' A' ' 115' ' ' TYR . 0.5 OUTLIER -111.54 47.42 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.2 t -165.04 149.26 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.09 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -100.26 56.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.538 HG12 ' SG ' ' A' ' 125' ' ' CYS . 26.8 t -135.25 112.78 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.93 147.08 54.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -54.99 -17.34 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.77 10.43 30.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.465 ' HB3' HG13 ' A' ' 94' ' ' VAL . 41.7 t-20 -105.0 134.53 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.376 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.5 t -78.37 55.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m 41.69 85.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -74.36 157.86 85.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.572 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.0 Cg_endo -75.05 157.48 42.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.572 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.0 -0.39 17.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.012 0.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.407 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.37 71.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.02 6.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.58 -110.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.405 ' HA ' ' HB ' ' A' ' 94' ' ' VAL . 24.8 t -178.2 159.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 108.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -19.72 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 108.349 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.34 125.96 21.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 127' ' ' VAL . 20.8 p -113.36 -1.16 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 126' ' ' ARG . . . -106.44 133.41 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -118.32 -167.35 1.34 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 109.982 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 84.3 m -84.37 106.45 15.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.862 ' CE1' HD11 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -104.88 146.21 29.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 6.5 t -146.3 124.02 11.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -55.63 22.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -100.49 -70.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.83 -61.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 39.97 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -51.74 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -153.09 113.99 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.8 m -137.37 119.87 15.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.7 m-85 -144.62 168.03 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.538 ' SG ' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.34 135.27 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.548 ' NH1' HD13 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -150.34 152.43 34.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.696 ' C ' HD22 ' A' ' 128' ' ' LEU . 4.3 p -113.58 153.48 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.862 HD11 ' CE1' ' A' ' 115' ' ' TYR . 2.2 mm? -128.65 47.09 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.0 m -159.92 125.17 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.11 48.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -145.09 34.89 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.695 HG11 ' SG ' ' A' ' 125' ' ' CYS . 21.0 t -94.85 0.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.72 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.64 -33.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.406 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 7.5 mtt180 -98.79 10.02 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 2.4 t30 -111.14 157.6 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.63 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.1 t -73.97 162.91 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.86 93.57 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.316 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.52 152.52 87.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.567 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 155.97 42.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.567 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.01 1.88 15.43 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.024 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.33 63.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -49.13 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.25 125.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.8 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.92 9.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -130.08 140.6 39.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 1.0 8.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 127' ' ' VAL . 93.4 m -110.67 -4.58 15.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.61 127.05 48.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -121.54 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 137.12 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.531 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 0.8 OUTLIER -142.5 125.08 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.1 m -116.49 112.64 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.505 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 18.2 mtp85 -56.9 -39.22 74.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -132.05 174.52 10.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -40.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -125.08 51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.51 139.31 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 55.35 103.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 72.1 m -145.03 113.98 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.1 m-85 -143.71 -175.35 4.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.695 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.5 m -85.99 121.08 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 5.2 tpp180 -142.14 153.29 43.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.512 ' C ' HD22 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -84.43 144.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 127' ' ' VAL . 2.3 mm? -106.73 -33.01 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.2 m -83.77 -156.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -164.82 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.13 62.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.467 HG12 ' SG ' ' A' ' 125' ' ' CYS . 3.4 t -95.9 130.6 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.33 147.71 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -18.41 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -110.09 23.27 14.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 1.6 m120 -133.71 148.5 51.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.7 t -76.23 159.77 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.9 m -64.14 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -76.02 145.16 76.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.565 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.0 157.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.97 1.05 16.02 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.045 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 67.72 64.18 0.68 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.3 Cg_endo -74.97 55.16 3.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 69.33 124.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.5 t -54.66 163.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -20.47 13.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 108.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.43 18.23 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.86 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.439 ' O ' HG23 ' A' ' 127' ' ' VAL . 13.6 t -107.85 -0.83 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 108.318 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.63 128.05 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.367 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -109.94 -167.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.69 106.09 15.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 1.139 ' CD1' HD21 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -105.08 125.19 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.93 104.59 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.252 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -56.37 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.7 OUTLIER -87.71 8.25 26.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 3.2 t80 77.24 -52.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -114.37 -8.0 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 19.9 m -133.1 169.94 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.11 74.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.568 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.3 t -112.07 117.41 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.2 m-85 -142.41 169.76 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.467 ' SG ' HG12 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -60.29 150.82 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.58 149.57 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.459 ' C ' HD22 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -85.07 137.01 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.139 HD21 ' CD1' ' A' ' 115' ' ' TYR . 2.1 mm? -132.68 45.55 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 m -163.44 120.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 59.1 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -127.49 -44.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.519 HG11 ' SG ' ' A' ' 125' ' ' CYS . 3.0 t -112.13 140.53 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.04 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -170.5 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.5 mtt180 -96.22 9.51 40.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 1.3 t30 -114.08 167.26 10.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.499 ' O ' HG13 ' A' ' 94' ' ' VAL . 40.5 t -79.39 -176.42 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 50.7 m -80.25 -18.67 48.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 100' ' ' CYS . 19.1 ptmt 46.99 64.04 9.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.569 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 158.23 42.4 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.569 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 125.68 11.68 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.995 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.557 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -155.81 161.02 30.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.63 -173.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -80.07 177.76 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 58.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.14 137.03 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 127' ' ' VAL . 66.6 m -114.97 0.98 13.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -108.32 119.25 38.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -120.38 -180.0 4.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 102.55 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 1.058 ' CE1' HD21 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -104.29 132.87 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.93 110.14 19.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 108.318 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -60.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -98.3 -59.55 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 176.66 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.7 34.99 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 m -150.8 139.94 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.08 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 54.1 t -116.51 132.37 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.2 m-85 -144.27 -172.28 3.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.519 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.3 m -86.39 111.92 20.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.428 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.58 158.75 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 111' ' ' CYS . 0.8 OUTLIER -84.69 145.38 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.058 HD21 ' CE1' ' A' ' 115' ' ' TYR . 12.3 mt -135.24 28.94 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.2 m -145.48 171.36 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.0 25.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -136.62 42.93 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.304 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.86 134.84 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.73 -94.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.33 -41.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.43 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 61.9 mtt180 -94.48 10.75 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 5.7 m-20 -112.23 151.89 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.3 t -69.63 164.43 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.34 93.32 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -74.73 153.11 87.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.554 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 161.57 38.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.99 0.74 16.31 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.025 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 70.42 69.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.17 122.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.22 156.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 108.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -20.58 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -125.11 130.93 24.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 1.55 7.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 132' ' ' CYS . 0.8 OUTLIER -110.11 2.75 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.7 133.36 56.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 6.6 m -126.82 -165.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 97.9 m -84.53 126.26 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.41 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -135.1 136.08 41.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 38.7 m -110.38 99.37 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -50.15 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -91.89 8.55 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.5 t80 75.76 -54.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.68 8.88 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.33 169.26 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 42.71 71.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 t -113.36 121.06 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 15.0 m-85 -143.16 179.01 7.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -71.68 111.5 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' CB ' ' CB ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -131.59 148.18 52.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.62 169.47 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.02 -46.57 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -159.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.95 44.63 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -114.6 -36.47 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 99' ' ' SER . 95.8 t -94.86 -6.25 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.48 -99.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.69 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.07 21.45 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.1 t-20 -123.24 159.06 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.844 ' O ' HG13 ' A' ' 94' ' ' VAL . 47.4 t -75.13 165.81 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.684 ' HA ' HG21 ' A' ' 94' ' ' VAL . 61.6 m -70.42 61.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -90.46 132.14 36.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.572 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.97 157.73 42.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.572 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.94 127.77 15.06 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.525 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -135.0 93.07 17.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.08 57.77 4.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 84.07 16.59 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 106' ' ' ALA . 5.0 t 87.13 164.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -21.01 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 135.91 28.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.17 8.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.781 ' O ' HG23 ' A' ' 127' ' ' VAL . 2.6 m -113.89 3.8 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.38 136.56 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -126.82 -174.78 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.1 m -84.39 102.66 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.799 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -105.11 149.13 26.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.9 m -133.76 109.13 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 mtm180 -43.41 -43.49 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -130.98 -175.67 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.74 -64.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -124.32 50.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.94 126.87 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 59.94 113.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 51.6 m -144.45 102.08 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 21.6 m-85 -143.49 -178.72 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.8 OUTLIER -67.05 148.86 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.99 143.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -84.94 151.33 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.799 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.2 mm? -108.44 -47.9 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.5 m -97.9 125.28 42.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.3 -44.46 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 108.265 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 100' ' ' CYS . 54.0 t -120.57 -2.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.39 -90.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.67 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -95.45 12.34 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.481 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -111.79 161.13 16.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.462 ' O ' HG13 ' A' ' 94' ' ' VAL . 22.0 t -84.79 152.98 23.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.655 ' HA ' HG21 ' A' ' 94' ' ' VAL . 2.6 m -69.16 69.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -81.77 114.35 49.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.551 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.98 157.92 42.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 127.86 15.28 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.973 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.525 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -138.18 93.44 11.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.4 Cg_endo -74.98 69.74 5.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 84.91 134.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 106' ' ' ALA . 34.8 m -47.67 172.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -20.81 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.97 139.23 28.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.3 7.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.1 m -119.54 4.71 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.23 123.0 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -114.17 -169.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.4 135.05 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 1.133 ' CZ ' HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -146.91 162.55 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 85.7 m -144.94 95.31 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -42.54 -48.55 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -117.14 -171.56 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -57.32 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.55 42.87 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -133.31 15.18 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . -178.21 109.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.6 m -145.74 105.72 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.3 m-85 -144.76 -172.2 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.465 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.3 m -88.6 112.93 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.471 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 126' ' ' ARG . 1.6 p -84.37 130.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.133 HD21 ' CZ ' ' A' ' 115' ' ' TYR . 5.3 mt -135.15 35.25 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -95.09 179.13 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.56 -80.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -104.56 23.46 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 129' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 38.5 t -94.15 -3.9 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.41 -88.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -179.96 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -98.63 18.12 17.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 11.5 t-20 -106.96 138.88 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 100' ' ' CYS . 3.5 t -88.18 52.28 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 61.39 117.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 99.29 13.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.562 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 156.31 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.95 127.63 14.81 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.063 -2.474 . . . . 0.0 111.001 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.524 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -134.87 99.78 12.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 86.08 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.81 133.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.1 t -45.16 166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.272 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -21.01 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 52.1 m-20 -127.14 144.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 2.63 6.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 129' ' ' SER . 1.8 t -127.06 11.57 7.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -106.9 110.92 23.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -105.98 -178.52 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.038 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.1 109.08 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 108.249 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 1.008 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -97.76 128.66 44.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 15.5 m -117.69 100.94 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.359 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -45.66 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.28 -70.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -166.12 -61.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -118.37 3.58 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.08 152.98 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.48 70.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.7 t -132.06 116.12 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.2 m-85 -148.51 173.98 12.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -59.38 141.41 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.581 ' HG2' ' CD2' ' A' ' 115' ' ' TYR . 19.3 tpp180 -154.26 158.21 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.754 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.2 p -103.24 150.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.008 HD11 ' CE1' ' A' ' 115' ' ' TYR . 2.3 mm? -123.39 -54.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.449 ' O ' HD12 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -74.95 -159.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 129' ' ' SER . 0.2 OUTLIER -155.04 -46.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -97.52 49.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.603 HG23 ' HA ' ' A' ' 107' ' ' CYS . 21.2 t -94.41 -7.92 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.93 -83.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.57 -33.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.1 mtt85 -99.09 14.82 27.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.495 ' HB3' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -105.44 142.85 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.49 ' N ' HD22 ' A' ' 98' ' ' ASN . 37.9 t -79.61 63.4 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 4.5 m 40.55 82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.424 ' HB3' ' ND2' ' A' ' 98' ' ' ASN . 3.7 ptpp? -79.35 147.22 68.09 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.557 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 156.52 43.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -74.99 0.51 16.45 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.98 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 70.55 85.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 57.38 4.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.09 18.43 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.603 ' HA ' HG23 ' A' ' 94' ' ' VAL . 19.6 t 73.03 157.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.88 9.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.54 132.2 20.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 46.8 m -112.68 3.32 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.09 131.34 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.5 OUTLIER -118.2 -168.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.058 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 74.8 m -84.54 105.99 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.499 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.7 OUTLIER -105.01 133.08 50.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.34 86.5 2.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -44.49 -51.81 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -103.11 165.3 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.72 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.72 17.23 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.1 m -118.61 165.92 13.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.7 82.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 95.4 m -127.97 103.46 7.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 97' ' ' ARG . 20.3 m-85 -145.51 173.98 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -64.18 128.37 35.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -152.84 146.48 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.67 162.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.9 mm? -108.96 -44.93 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 m -104.85 134.68 47.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 76.67 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.61 -47.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.297 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.698 HG11 ' SG ' ' A' ' 125' ' ' CYS . 32.0 t -95.2 -6.0 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.14 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -173.51 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 124' ' ' TYR . 6.8 mtt180 -99.44 19.35 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -119.05 158.54 25.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.598 ' O ' HG13 ' A' ' 94' ' ' VAL . 38.2 t -75.3 149.16 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.611 ' HA ' HG21 ' A' ' 94' ' ' VAL . 2.5 m -69.26 77.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 5.1 ptmt -74.96 113.63 26.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.567 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 159.16 41.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.567 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 127.63 14.82 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.022 -0.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.528 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -144.39 90.74 6.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.03 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.07 122.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.74 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -20.91 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 130.05 24.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.46 7.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.9 m -115.69 6.24 14.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.8 122.6 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -105.5 -163.97 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 82.6 m -84.69 151.57 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.1 OUTLIER -150.81 114.2 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 123' ' ' CYS . 77.3 m -108.57 107.24 17.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -48.75 -45.54 39.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.35 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.9 -66.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.0 45.32 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.96 -60.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.03 112.19 4.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.5 t -141.12 127.88 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.1 m-85 -143.89 -178.82 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.698 ' SG ' HG11 ' A' ' 94' ' ' VAL . 3.1 m -80.4 108.04 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.534 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.09 157.41 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.9 m -85.95 162.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.13 -45.03 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -104.59 107.98 19.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 73.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.2 m120 -145.09 -46.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.632 HG12 ' HB2' ' A' ' 125' ' ' CYS . 46.9 t -94.86 128.89 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.59 -89.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -164.57 -42.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 124' ' ' TYR . 31.2 mtp180 -94.8 8.87 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.412 ' N ' ' HB3' ' A' ' 124' ' ' TYR . 3.2 t-20 -106.42 155.67 19.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 t -68.04 159.1 31.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 2.0 m -56.82 -33.69 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 ptmt 44.71 63.83 8.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.602 ' HA ' ' N ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 154.63 42.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 124.46 10.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.985 -0.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 100' ' ' CYS . . . -96.01 128.82 35.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.3 Cg_endo -74.94 54.59 3.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 69.42 120.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -42.98 162.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 94' ' ' VAL . 71.8 m -54.73 -21.13 9.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.76 138.84 29.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.77 7.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.56 7.58 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.15 119.42 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -115.63 -164.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 138.26 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 126' ' ' ARG . 1.1 t80 -143.6 117.62 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 24.5 m -104.7 124.36 49.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -71.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.538 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 24.3 m-85 -87.83 -4.37 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 78.1 -53.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 48.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.465 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -150.67 -61.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.01 134.45 28.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.62 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 17.2 t -145.31 122.18 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 108.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.2 m-85 -145.45 -177.39 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.632 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -64.25 164.61 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER 171.64 150.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 127' ' ' VAL . 5.0 m -84.7 151.86 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 128' ' ' LEU . 3.2 mm? -105.08 -24.85 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 p 48.25 -175.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.55 -57.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -115.64 17.6 16.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 108.274 -179.973 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 27.9 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 11.9 t -94.98 131.82 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.92 -92.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.37 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.377 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 5.1 mtp180 -94.52 11.61 30.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 10.9 m-80 -109.51 152.94 24.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 171.08 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.54 88.25 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 102' ' ' PRO . 10.3 tttp -74.83 142.39 76.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 159.61 41.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 1.07 16.17 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.989 0.06 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.446 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 60.95 91.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -159.47 26.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.2 t 60.93 153.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -75.05 58.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER 164.05 123.18 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 1.98 7.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.618 ' O ' HG23 ' A' ' 127' ' ' VAL . 1.3 m -122.98 5.09 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 109' ' ' ASP . . . -117.16 118.62 32.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -119.34 -164.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 90.7 m -83.83 130.35 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.361 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.557 ' CE1' HD21 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -145.68 145.42 30.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.72 127.2 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.97 -62.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.02 -171.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.08 -76.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -120.79 33.65 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.6 p -149.87 175.73 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.5 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -138.81 123.05 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.3 m-85 -143.86 -176.97 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.4 OUTLIER -77.81 110.24 12.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 127' ' ' VAL . 0.0 OUTLIER -121.01 157.5 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -86.81 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 115' ' ' TYR . 15.0 mt -135.01 26.91 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.46 -160.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.02 -47.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -100.14 37.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.297 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 CA--C 1.572 1.819 0 CA-C-O 121.457 0.646 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.6 t -79.81 94.77 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 119.686 -1.884 . . . . 0.0 109.929 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 165.38 24.89 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -57.96 -45.83 86.07 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.14 66.18 0.63 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.716 1.246 . . . . 0.0 111.367 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -157.79 141.34 15.52 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 124.54 1.136 . . . . 0.0 109.403 -170.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -67.13 148.41 51.88 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.5 m -65.3 100.43 0.47 Allowed 'General case' 0 CA--C 1.577 2.0 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -121.42 88.39 46.07 Favored Pre-proline 0 CA--C 1.58 2.134 0 C-N-CA 123.899 0.88 . . . . 0.0 111.647 -158.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.92 161.33 39.14 Favored 'Trans proline' 0 CA--C 1.583 2.964 0 C-N-CA 122.548 2.165 . . . . 0.0 116.547 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.11 114.96 3.61 Favored 'Cis proline' 0 CA--C 1.569 2.228 0 CA-C-N 122.935 2.084 . . . . 0.0 115.36 7.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.08 129.48 20.0 Favored Pre-proline 0 CA--C 1.572 1.821 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.595 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.22 73.57 5.89 Favored 'Trans proline' 0 CA--C 1.572 2.394 0 C-N-CA 122.755 2.304 . . . . 0.0 113.78 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . 0.349 . . 56.81 -126.05 1.88 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -166.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 63.1 m -103.19 169.59 8.46 Favored 'General case' 0 CA--C 1.576 1.973 0 O-C-N 120.975 -1.078 . . . . 0.0 112.688 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.64 -35.68 72.9 Favored 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 118.776 2.88 . . . . 0.0 118.776 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -106.84 145.17 30.54 Favored Pre-proline 0 CA--C 1.587 2.402 0 CA-C-N 119.337 0.972 . . . . 0.0 110.738 164.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.05 -16.01 32.23 Favored 'Trans proline' 0 CA--C 1.569 2.252 0 N-CA-C 121.192 3.497 . . . . 0.0 121.192 -162.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.3 m -86.49 -1.31 57.49 Favored 'General case' 0 CA--C 1.584 2.269 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.53 145.37 30.12 Favored 'General case' 0 CA--C 1.571 1.773 0 O-C-N 120.613 -1.304 . . . . 0.0 113.928 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -137.65 157.66 46.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.941 -1.1 . . . . 0.0 113.677 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.1 126.54 28.95 Favored 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -126.3 99.51 5.89 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.391 0.677 . . . . 0.0 111.075 -172.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.07 160.75 29.48 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -99.5 -59.69 1.67 Allowed 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 165.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -136.54 93.35 2.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.103 -0.998 . . . . 0.0 109.765 -166.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . 0.349 59.7 t80 64.79 -87.62 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 124.571 1.149 . . . . 0.0 113.908 -173.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -122.2 7.75 9.71 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.2 t -79.67 140.26 37.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.366 -2.083 . . . . 0.0 113.455 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . 0.263 . . 53.85 55.94 7.79 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 117.529 2.418 . . . . 0.0 117.529 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.98 99.48 9.95 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 124.146 0.979 . . . . 0.0 112.562 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.501 2.105 0 C-N-CA 123.501 0.72 . . . . 0.0 111.097 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.38 133.54 43.81 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 119.616 -1.927 . . . . 0.0 115.511 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 124.26 28.12 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.859 0.864 . . . . 0.0 110.739 -167.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.3 m -76.81 82.12 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-O 122.517 1.151 . . . . 0.0 111.67 167.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.05 -37.37 66.88 Favored 'General case' 0 CA--C 1.572 1.827 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.8 t -72.25 142.06 48.95 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.7 mt -81.98 -49.96 9.67 Favored 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.76 -80.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.851 0 CA-C-N 120.12 1.327 . . . . 0.0 110.634 169.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.488 1.468 0 CA-C-N 120.102 1.319 . . . . 0.0 109.743 163.653 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 26.6 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.663 HG23 ' HA ' ' A' ' 107' ' ' CYS . 21.2 t -94.58 -9.02 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 66.39 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.38 -34.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -100.02 13.03 35.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 16.4 t-20 -103.05 140.1 37.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -78.91 62.26 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 35.5 m 41.96 79.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 156.03 86.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 160.07 40.59 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.54 16.43 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.017 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 59.61 83.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -68.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.77 23.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.663 ' HA ' HG23 ' A' ' 94' ' ' VAL . 49.1 t 66.84 162.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.464 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.1 OUTLIER -55.02 -20.81 10.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.33 134.6 14.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.95 8.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.424 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -110.31 -2.01 16.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.87 121.57 45.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -104.9 -169.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 102.17 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HB2' ' CB ' ' A' ' 126' ' ' ARG . 2.0 t80 -89.28 125.95 35.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.7 110.24 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 108.258 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -56.02 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -110.75 -60.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -171.44 -62.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -119.64 0.5 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -113.73 139.56 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.46 67.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 88.6 m -120.54 112.98 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.2 m-85 -146.26 169.17 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -57.96 149.63 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -171.98 151.8 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.5 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.3 p -89.05 158.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 128' ' ' LEU . 2.1 mm? -112.48 -36.9 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -76.38 -1.57 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.9 mp 65.98 -74.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' SER . 70.5 m-80 -97.22 50.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 95' ' ' ALA . 56.4 t -107.68 -114.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.6 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -176.0 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.89 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.431 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 6.0 mtt180 -103.89 8.81 36.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 2.4 m120 -116.52 154.39 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.8 t -70.08 167.77 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -77.14 93.32 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -74.73 160.88 79.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.538 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 161.16 39.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 0.88 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.008 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 72.31 76.42 0.22 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -80.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.72 23.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.8 t 62.14 165.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -20.87 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.07 129.08 25.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.53 7.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 69.8 m -116.22 -3.5 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.64 142.19 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.1 m -129.53 -169.72 2.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.48 106.26 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.88 ' CE1' HD11 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -105.05 141.41 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 116.58 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 2.2 mtt180 -61.75 -41.54 97.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -125.64 171.34 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -37.38 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -125.23 32.53 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.78 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 62.43 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -145.17 111.06 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.9 m-85 -143.82 171.73 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 96' ' ' THR . 1.1 m -65.36 133.35 51.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.728 ' NH1' HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -150.93 146.39 26.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.905 ' C ' HD22 ' A' ' 128' ' ' LEU . 7.2 p -109.57 160.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.905 HD22 ' C ' ' A' ' 127' ' ' VAL . 1.7 mm? -134.66 -46.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -74.9 68.05 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 45.37 -165.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -94.86 14.2 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 82.6 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 125' ' ' CYS . 35.2 t -100.15 -9.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.24 -88.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -175.06 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 mtt85 -95.82 7.87 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -106.44 159.28 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' LYS . 23.0 t -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.1 m -62.98 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 108.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' SER . 7.9 ptmt -74.93 154.13 86.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.55 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 159.87 40.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.06 0.58 16.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.978 0.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.441 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.64 71.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.95 121.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.5 t -44.47 165.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -36.02 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -122.05 136.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.01 8.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.708 ' O ' HG23 ' A' ' 127' ' ' VAL . 3.3 m -111.81 -0.46 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.9 124.32 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.5 OUTLIER -112.45 -169.06 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 131.44 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.978 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -134.94 122.8 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ARG . 64.2 m -110.26 95.1 5.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . 11.4 mtm180 -38.61 -50.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 117' ' ' ARG . 32.7 m-85 -140.39 -164.49 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.46 -71.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -124.0 55.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.5 m -114.7 -70.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.06 136.78 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.7 t -145.07 120.54 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.3 m-85 -146.75 -173.98 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.426 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -75.62 116.33 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.3 148.24 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 111' ' ' CYS . 1.4 p -85.01 150.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.978 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.8 mm? -120.35 -51.16 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.0 m -90.92 -173.44 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -161.52 29.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -130.67 23.03 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.31 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 40.3 t -94.9 -10.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.33 -89.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.41 -39.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 8.4 mtt180 -95.59 10.18 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.45 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 13.7 t30 -108.77 158.43 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 26.3 t -87.42 154.49 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.28 83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 99' ' ' SER . 1.9 ptmm? -74.74 154.78 87.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 160.25 40.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.33 16.57 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.066 -2.473 . . . . 0.0 110.985 -0.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.63 70.43 0.5 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.75 116.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.7 t -44.44 163.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -21.15 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.62 24.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.765 ' O ' HG23 ' A' ' 127' ' ' VAL . 57.1 m -118.79 1.82 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 126' ' ' ARG . . . -107.2 128.52 54.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -121.58 -159.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.33 128.67 34.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 108.349 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.832 ' CE2' HD11 ' A' ' 128' ' ' LEU . 1.1 t80 -135.01 120.43 19.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.68 108.51 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.98 -51.73 4.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -120.42 -65.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -179.73 -66.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -125.0 45.94 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.76 -60.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -149.09 134.67 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 37.1 m -141.65 128.11 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.248 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.9 m-85 -144.02 -172.89 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.432 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -75.9 141.96 42.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.579 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.87 152.91 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 111' ' ' CYS . 9.2 p -124.35 146.68 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.832 HD11 ' CE2' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -126.02 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.473 ' HB3' ' CA ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -134.71 9.18 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.88 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -107.56 29.93 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.473 ' CA ' ' HB3' ' A' ' 129' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.651 HG11 ' SG ' ' A' ' 125' ' ' CYS . 11.5 t -94.61 -4.36 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.53 -87.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 124' ' ' TYR . 0.8 OUTLIER 174.37 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 23.7 mtt180 -98.37 20.27 12.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' SER . 54.3 t-20 -109.36 141.04 42.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 7.7 t -78.62 72.11 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.499 ' O ' HG13 ' A' ' 94' ' ' VAL . 10.4 m 66.95 -73.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 66.71 63.82 0.82 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.538 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 126.03 12.18 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.034 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.534 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -143.74 93.22 6.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.613 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 78.35 120.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 4.7 m -54.09 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -21.01 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.23 141.51 34.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.65 7.51 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.55 9.86 10.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -107.32 123.07 47.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -116.87 -173.71 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.4 134.52 34.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.58 ' HE2' HD21 ' A' ' 128' ' ' LEU . 2.3 t80 -134.61 140.34 46.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.82 108.12 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 108.261 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -42.75 -52.87 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.9 -59.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 177.47 -64.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -125.08 36.44 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.2 m -117.62 -65.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.89 129.24 18.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.616 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 35.1 m -142.92 127.65 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.8 m-85 -145.66 176.26 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.651 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -76.33 109.63 10.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.65 154.11 28.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.8 p -85.05 143.94 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.58 HD21 ' HE2' ' A' ' 115' ' ' TYR . 3.6 mt -134.13 37.68 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.21 -159.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.0 tt -157.36 -49.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.33 13.16 16.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.242 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.681 HG11 ' SG ' ' A' ' 125' ' ' CYS . 3.6 t -96.14 138.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.78 -91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -171.69 -39.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -98.09 14.49 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 4.6 m-20 -112.37 155.13 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 t -74.97 150.5 39.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.02 85.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -74.94 150.73 86.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.566 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 154.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.566 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 1.05 16.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.012 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 67.06 63.59 0.77 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.0 54.08 3.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . 61.13 121.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 10.0 m -43.84 164.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 60.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 0.4 OUTLIER 165.57 133.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.52 7.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.4 m -121.41 7.25 10.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 108.282 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -105.73 114.38 28.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 6.1 m -119.09 -170.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 131.89 34.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.249 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.731 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -138.94 139.32 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 8.5 t -135.81 107.36 6.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 108.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -49.28 -55.26 13.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -97.63 176.16 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -48.84 -76.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -124.51 50.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.21 139.16 22.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 51.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.579 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 m -143.82 120.94 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.5 m-85 -143.0 -179.16 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.681 ' SG ' HG11 ' A' ' 94' ' ' VAL . 2.3 m -75.89 108.28 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 108.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.404 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -117.35 155.68 29.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.468 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.4 p -86.93 133.59 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.731 HD11 ' CE1' ' A' ' 115' ' ' TYR . 4.6 mm? -121.43 50.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.65 -154.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 130' ' ' LEU . 11.8 mt -157.29 -59.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -109.31 19.06 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -134.08 155.2 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 98' ' ' ASN . . . -69.48 160.65 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -75.33 -20.94 58.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -105.13 26.21 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.515 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 2.2 t30 -130.94 156.24 45.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.4 t -70.79 148.13 48.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.4 p -62.91 90.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 108.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.672 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -74.08 152.88 88.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.555 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 153.87 41.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 1.92 15.43 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 101' ' ' LYS . . . 55.8 88.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -61.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . -173.9 32.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 106' ' ' ALA . 6.7 m 53.22 174.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.53 58.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER 165.46 127.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.21 6.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.24 10.61 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.31 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.18 126.13 54.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -118.58 -179.07 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.39 104.12 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.648 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -103.78 112.08 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.67 98.81 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.471 ' C ' ' CD1' ' A' ' 118' ' ' PHE . 2.3 mtt-85 -47.08 -37.28 9.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 117' ' ' ARG . 83.7 m-85 -158.09 -169.24 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.38 -71.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -123.47 54.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 118' ' ' PHE . 1.5 t -120.79 -69.7 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -157.4 133.22 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 53.7 t -144.43 120.47 10.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.5 m-85 -144.03 175.7 9.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 4.3 m -77.91 101.06 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -113.17 155.29 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -84.69 163.64 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.648 HD11 ' CE1' ' A' ' 115' ' ' TYR . 1.8 mm? -127.37 24.04 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.45 144.6 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -55.22 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -102.04 55.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 46.1 t -94.75 -9.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 65.77 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.33 -39.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.441 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.8 mtp180 -97.63 13.16 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -109.4 147.07 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' LYS . 47.9 t -76.85 153.48 34.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.55 87.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.3 OUTLIER -75.03 146.35 82.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.548 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 159.48 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.85 16.22 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.016 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.445 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 67.21 74.76 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.06 122.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.1 t -45.37 167.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -21.18 10.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -134.05 140.52 36.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.1 8.12 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.956 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -116.66 4.25 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.97 119.9 40.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -111.14 -164.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 137.46 33.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 4.0 t80 -134.9 147.4 49.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.2 m -144.78 99.09 3.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 18.23 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -133.06 6.81 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.6 t80 69.49 -64.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 23.39 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -154.93 176.16 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 40.39 70.89 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.607 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 16.8 m -111.39 106.41 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.1 m-85 -144.24 171.96 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -61.65 160.56 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER 179.98 153.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 111' ' ' CYS . 2.3 p -104.36 141.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.482 HD23 ' HE2' ' A' ' 115' ' ' TYR . 0.5 OUTLIER -111.54 47.42 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.2 t -165.04 149.26 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.09 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -100.26 56.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.538 HG12 ' SG ' ' A' ' 125' ' ' CYS . 26.8 t -135.25 112.78 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.93 147.08 54.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -54.99 -17.34 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.77 10.43 30.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.465 ' HB3' HG13 ' A' ' 94' ' ' VAL . 41.7 t-20 -105.0 134.53 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.376 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.5 t -78.37 55.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m 41.69 85.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -74.36 157.86 85.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.572 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.0 Cg_endo -75.05 157.48 42.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.572 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.0 -0.39 17.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.012 0.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.407 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.37 71.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.02 6.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.58 -110.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.405 ' HA ' ' HB ' ' A' ' 94' ' ' VAL . 24.8 t -178.2 159.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 108.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -19.72 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 108.349 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.34 125.96 21.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 127' ' ' VAL . 20.8 p -113.36 -1.16 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 126' ' ' ARG . . . -106.44 133.41 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -118.32 -167.35 1.34 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 109.982 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 84.3 m -84.37 106.45 15.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.862 ' CE1' HD11 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -104.88 146.21 29.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 6.5 t -146.3 124.02 11.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -55.63 22.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -100.49 -70.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.83 -61.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 39.97 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -51.74 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -153.09 113.99 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.8 m -137.37 119.87 15.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.7 m-85 -144.62 168.03 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.538 ' SG ' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.34 135.27 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.548 ' NH1' HD13 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -150.34 152.43 34.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.696 ' C ' HD22 ' A' ' 128' ' ' LEU . 4.3 p -113.58 153.48 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.862 HD11 ' CE1' ' A' ' 115' ' ' TYR . 2.2 mm? -128.65 47.09 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.0 m -159.92 125.17 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.11 48.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -145.09 34.89 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.695 HG11 ' SG ' ' A' ' 125' ' ' CYS . 21.0 t -94.85 0.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.72 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.64 -33.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.406 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 7.5 mtt180 -98.79 10.02 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 2.4 t30 -111.14 157.6 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.63 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.1 t -73.97 162.91 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.86 93.57 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.316 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.52 152.52 87.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.567 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 155.97 42.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.567 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.01 1.88 15.43 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.024 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.33 63.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -49.13 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.25 125.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.8 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.92 9.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -130.08 140.6 39.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 1.0 8.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 127' ' ' VAL . 93.4 m -110.67 -4.58 15.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.61 127.05 48.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -121.54 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 137.12 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.531 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 0.8 OUTLIER -142.5 125.08 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.1 m -116.49 112.64 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.505 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 18.2 mtp85 -56.9 -39.22 74.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -132.05 174.52 10.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -40.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -125.08 51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.51 139.31 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 55.35 103.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 72.1 m -145.03 113.98 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.1 m-85 -143.71 -175.35 4.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.695 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.5 m -85.99 121.08 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 5.2 tpp180 -142.14 153.29 43.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.512 ' C ' HD22 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -84.43 144.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 127' ' ' VAL . 2.3 mm? -106.73 -33.01 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.2 m -83.77 -156.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -164.82 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.13 62.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.467 HG12 ' SG ' ' A' ' 125' ' ' CYS . 3.4 t -95.9 130.6 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.33 147.71 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -18.41 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -110.09 23.27 14.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 1.6 m120 -133.71 148.5 51.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.7 t -76.23 159.77 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.9 m -64.14 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -76.02 145.16 76.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.565 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.0 157.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.97 1.05 16.02 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.045 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 67.72 64.18 0.68 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.3 Cg_endo -74.97 55.16 3.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 69.33 124.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.5 t -54.66 163.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -20.47 13.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 108.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.43 18.23 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.86 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.439 ' O ' HG23 ' A' ' 127' ' ' VAL . 13.6 t -107.85 -0.83 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 108.318 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.63 128.05 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.367 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -109.94 -167.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.69 106.09 15.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 1.139 ' CD1' HD21 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -105.08 125.19 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.93 104.59 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.252 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -56.37 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.7 OUTLIER -87.71 8.25 26.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 3.2 t80 77.24 -52.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -114.37 -8.0 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 19.9 m -133.1 169.94 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.11 74.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.568 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.3 t -112.07 117.41 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.2 m-85 -142.41 169.76 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.467 ' SG ' HG12 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -60.29 150.82 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.58 149.57 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.459 ' C ' HD22 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -85.07 137.01 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.139 HD21 ' CD1' ' A' ' 115' ' ' TYR . 2.1 mm? -132.68 45.55 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 m -163.44 120.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 59.1 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -127.49 -44.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.519 HG11 ' SG ' ' A' ' 125' ' ' CYS . 3.0 t -112.13 140.53 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.04 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -170.5 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.5 mtt180 -96.22 9.51 40.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 1.3 t30 -114.08 167.26 10.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.499 ' O ' HG13 ' A' ' 94' ' ' VAL . 40.5 t -79.39 -176.42 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 50.7 m -80.25 -18.67 48.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 100' ' ' CYS . 19.1 ptmt 46.99 64.04 9.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.569 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 158.23 42.4 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.569 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 125.68 11.68 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.995 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.557 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -155.81 161.02 30.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.63 -173.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -80.07 177.76 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 58.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.14 137.03 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 127' ' ' VAL . 66.6 m -114.97 0.98 13.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -108.32 119.25 38.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -120.38 -180.0 4.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 102.55 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 1.058 ' CE1' HD21 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -104.29 132.87 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.93 110.14 19.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 108.318 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -60.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -98.3 -59.55 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 176.66 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.7 34.99 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 m -150.8 139.94 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.08 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 54.1 t -116.51 132.37 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.2 m-85 -144.27 -172.28 3.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.519 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.3 m -86.39 111.92 20.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.428 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.58 158.75 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 111' ' ' CYS . 0.8 OUTLIER -84.69 145.38 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.058 HD21 ' CE1' ' A' ' 115' ' ' TYR . 12.3 mt -135.24 28.94 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.2 m -145.48 171.36 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.0 25.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -136.62 42.93 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.304 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.86 134.84 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.73 -94.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.33 -41.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.43 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 61.9 mtt180 -94.48 10.75 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 5.7 m-20 -112.23 151.89 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.3 t -69.63 164.43 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.34 93.32 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -74.73 153.11 87.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.554 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 161.57 38.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.99 0.74 16.31 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.025 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 70.42 69.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.17 122.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.22 156.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 108.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -20.58 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -125.11 130.93 24.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 1.55 7.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 132' ' ' CYS . 0.8 OUTLIER -110.11 2.75 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.7 133.36 56.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 6.6 m -126.82 -165.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 97.9 m -84.53 126.26 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.41 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -135.1 136.08 41.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 38.7 m -110.38 99.37 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -50.15 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -91.89 8.55 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.5 t80 75.76 -54.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.68 8.88 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.33 169.26 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 42.71 71.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 t -113.36 121.06 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 15.0 m-85 -143.16 179.01 7.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -71.68 111.5 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' CB ' ' CB ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -131.59 148.18 52.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.62 169.47 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.02 -46.57 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -159.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.95 44.63 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -114.6 -36.47 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 99' ' ' SER . 95.8 t -94.86 -6.25 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.48 -99.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.69 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.07 21.45 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.1 t-20 -123.24 159.06 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.844 ' O ' HG13 ' A' ' 94' ' ' VAL . 47.4 t -75.13 165.81 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.684 ' HA ' HG21 ' A' ' 94' ' ' VAL . 61.6 m -70.42 61.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -90.46 132.14 36.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.572 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.97 157.73 42.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.572 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.94 127.77 15.06 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.525 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -135.0 93.07 17.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.08 57.77 4.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 84.07 16.59 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 106' ' ' ALA . 5.0 t 87.13 164.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -21.01 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 135.91 28.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.17 8.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.781 ' O ' HG23 ' A' ' 127' ' ' VAL . 2.6 m -113.89 3.8 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.38 136.56 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -126.82 -174.78 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.1 m -84.39 102.66 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.799 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -105.11 149.13 26.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.9 m -133.76 109.13 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 mtm180 -43.41 -43.49 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -130.98 -175.67 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.74 -64.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -124.32 50.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.94 126.87 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 59.94 113.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 51.6 m -144.45 102.08 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 21.6 m-85 -143.49 -178.72 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.8 OUTLIER -67.05 148.86 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.99 143.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -84.94 151.33 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.799 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.2 mm? -108.44 -47.9 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.5 m -97.9 125.28 42.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.3 -44.46 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 108.265 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 100' ' ' CYS . 54.0 t -120.57 -2.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.39 -90.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.67 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -95.45 12.34 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.481 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -111.79 161.13 16.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.462 ' O ' HG13 ' A' ' 94' ' ' VAL . 22.0 t -84.79 152.98 23.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.655 ' HA ' HG21 ' A' ' 94' ' ' VAL . 2.6 m -69.16 69.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.507 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -81.77 114.35 49.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.551 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.98 157.92 42.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 127.86 15.28 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.973 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.525 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -138.18 93.44 11.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.4 Cg_endo -74.98 69.74 5.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 84.91 134.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 106' ' ' ALA . 34.8 m -47.67 172.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -20.81 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.97 139.23 28.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.3 7.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.1 m -119.54 4.71 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.23 123.0 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -114.17 -169.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.4 135.05 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 1.133 ' CZ ' HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -146.91 162.55 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 85.7 m -144.94 95.31 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -42.54 -48.55 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -117.14 -171.56 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -57.32 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.55 42.87 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -133.31 15.18 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . -178.21 109.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.6 m -145.74 105.72 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.3 m-85 -144.76 -172.2 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.465 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.3 m -88.6 112.93 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.471 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 126' ' ' ARG . 1.6 p -84.37 130.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.133 HD21 ' CZ ' ' A' ' 115' ' ' TYR . 5.3 mt -135.15 35.25 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -95.09 179.13 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.56 -80.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -104.56 23.46 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 129' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 38.5 t -94.15 -3.9 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.41 -88.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -179.96 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -98.63 18.12 17.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 11.5 t-20 -106.96 138.88 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 100' ' ' CYS . 3.5 t -88.18 52.28 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 61.39 117.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 99.29 13.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.562 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 156.31 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.95 127.63 14.81 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.063 -2.474 . . . . 0.0 111.001 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.524 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -134.87 99.78 12.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 86.08 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.81 133.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.1 t -45.16 166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.272 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -21.01 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.531 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 52.1 m-20 -127.14 144.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 2.63 6.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 129' ' ' SER . 1.8 t -127.06 11.57 7.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -106.9 110.92 23.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -105.98 -178.52 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.038 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.1 109.08 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 108.249 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 1.008 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -97.76 128.66 44.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 15.5 m -117.69 100.94 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.359 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -45.66 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.28 -70.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -166.12 -61.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -118.37 3.58 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.08 152.98 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.48 70.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.7 t -132.06 116.12 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.2 m-85 -148.51 173.98 12.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -59.38 141.41 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.581 ' HG2' ' CD2' ' A' ' 115' ' ' TYR . 19.3 tpp180 -154.26 158.21 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.754 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.2 p -103.24 150.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.008 HD11 ' CE1' ' A' ' 115' ' ' TYR . 2.3 mm? -123.39 -54.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.449 ' O ' HD12 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -74.95 -159.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 129' ' ' SER . 0.2 OUTLIER -155.04 -46.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -97.52 49.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.603 HG23 ' HA ' ' A' ' 107' ' ' CYS . 21.2 t -94.41 -7.92 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.93 -83.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.57 -33.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.1 mtt85 -99.09 14.82 27.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.495 ' HB3' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -105.44 142.85 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.49 ' N ' HD22 ' A' ' 98' ' ' ASN . 37.9 t -79.61 63.4 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 4.5 m 40.55 82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.424 ' HB3' ' ND2' ' A' ' 98' ' ' ASN . 3.7 ptpp? -79.35 147.22 68.09 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.557 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 156.52 43.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -74.99 0.51 16.45 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.98 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 70.55 85.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 57.38 4.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.09 18.43 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.603 ' HA ' HG23 ' A' ' 94' ' ' VAL . 19.6 t 73.03 157.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.88 9.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.54 132.2 20.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 46.8 m -112.68 3.32 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.09 131.34 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.5 OUTLIER -118.2 -168.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.058 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 74.8 m -84.54 105.99 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.499 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.7 OUTLIER -105.01 133.08 50.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.34 86.5 2.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -44.49 -51.81 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -103.11 165.3 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.72 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.72 17.23 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.1 m -118.61 165.92 13.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.7 82.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 95.4 m -127.97 103.46 7.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 97' ' ' ARG . 20.3 m-85 -145.51 173.98 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -64.18 128.37 35.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -152.84 146.48 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.67 162.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.9 mm? -108.96 -44.93 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 m -104.85 134.68 47.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 76.67 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.61 -47.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.297 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.698 HG11 ' SG ' ' A' ' 125' ' ' CYS . 32.0 t -95.2 -6.0 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.14 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -173.51 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 124' ' ' TYR . 6.8 mtt180 -99.44 19.35 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -119.05 158.54 25.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.598 ' O ' HG13 ' A' ' 94' ' ' VAL . 38.2 t -75.3 149.16 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.611 ' HA ' HG21 ' A' ' 94' ' ' VAL . 2.5 m -69.26 77.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 5.1 ptmt -74.96 113.63 26.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.567 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 159.16 41.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.567 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 127.63 14.82 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.022 -0.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.528 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -144.39 90.74 6.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.03 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.07 122.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.74 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -20.91 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 130.05 24.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.46 7.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.9 m -115.69 6.24 14.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.8 122.6 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -105.5 -163.97 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 82.6 m -84.69 151.57 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.1 OUTLIER -150.81 114.2 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 123' ' ' CYS . 77.3 m -108.57 107.24 17.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -48.75 -45.54 39.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.35 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.9 -66.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.0 45.32 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.96 -60.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.03 112.19 4.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.5 t -141.12 127.88 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.1 m-85 -143.89 -178.82 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.698 ' SG ' HG11 ' A' ' 94' ' ' VAL . 3.1 m -80.4 108.04 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.534 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.09 157.41 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.9 m -85.95 162.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.13 -45.03 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -104.59 107.98 19.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 73.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.2 m120 -145.09 -46.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.632 HG12 ' HB2' ' A' ' 125' ' ' CYS . 46.9 t -94.86 128.89 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.59 -89.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -164.57 -42.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 124' ' ' TYR . 31.2 mtp180 -94.8 8.87 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.412 ' N ' ' HB3' ' A' ' 124' ' ' TYR . 3.2 t-20 -106.42 155.67 19.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 t -68.04 159.1 31.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 2.0 m -56.82 -33.69 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 ptmt 44.71 63.83 8.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.602 ' HA ' ' N ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 154.63 42.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 124.46 10.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.985 -0.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 100' ' ' CYS . . . -96.01 128.82 35.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.3 Cg_endo -74.94 54.59 3.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 69.42 120.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -42.98 162.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 94' ' ' VAL . 71.8 m -54.73 -21.13 9.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.76 138.84 29.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.77 7.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.56 7.58 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.15 119.42 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -115.63 -164.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 138.26 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 126' ' ' ARG . 1.1 t80 -143.6 117.62 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 24.5 m -104.7 124.36 49.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -71.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.538 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 24.3 m-85 -87.83 -4.37 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 78.1 -53.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 48.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.465 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -150.67 -61.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.01 134.45 28.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.62 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 17.2 t -145.31 122.18 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 108.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.2 m-85 -145.45 -177.39 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.632 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -64.25 164.61 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER 171.64 150.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 127' ' ' VAL . 5.0 m -84.7 151.86 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 128' ' ' LEU . 3.2 mm? -105.08 -24.85 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 p 48.25 -175.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.55 -57.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -115.64 17.6 16.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 108.274 -179.973 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 27.9 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 11.9 t -94.98 131.82 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.92 -92.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.37 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.377 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 5.1 mtp180 -94.52 11.61 30.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 10.9 m-80 -109.51 152.94 24.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 171.08 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.54 88.25 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 102' ' ' PRO . 10.3 tttp -74.83 142.39 76.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 159.61 41.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 1.07 16.17 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.989 0.06 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.446 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 60.95 91.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -159.47 26.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.2 t 60.93 153.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -75.05 58.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER 164.05 123.18 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 1.98 7.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.618 ' O ' HG23 ' A' ' 127' ' ' VAL . 1.3 m -122.98 5.09 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 109' ' ' ASP . . . -117.16 118.62 32.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -119.34 -164.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 90.7 m -83.83 130.35 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.361 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.557 ' CE1' HD21 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -145.68 145.42 30.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.72 127.2 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.97 -62.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.02 -171.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.08 -76.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -120.79 33.65 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.6 p -149.87 175.73 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.5 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -138.81 123.05 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.3 m-85 -143.86 -176.97 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.4 OUTLIER -77.81 110.24 12.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 127' ' ' VAL . 0.0 OUTLIER -121.01 157.5 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -86.81 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 115' ' ' TYR . 15.0 mt -135.01 26.91 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.46 -160.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.02 -47.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -100.14 37.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.297 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 CA--C 1.572 1.819 0 CA-C-O 121.457 0.646 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.6 t -79.81 94.77 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 119.686 -1.884 . . . . 0.0 109.929 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 165.38 24.89 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -57.96 -45.83 86.07 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.14 66.18 0.63 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.716 1.246 . . . . 0.0 111.367 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -157.79 141.34 15.52 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 124.54 1.136 . . . . 0.0 109.403 -170.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -67.13 148.41 51.88 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.5 m -65.3 100.43 0.47 Allowed 'General case' 0 CA--C 1.577 2.0 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -121.42 88.39 46.07 Favored Pre-proline 0 CA--C 1.58 2.134 0 C-N-CA 123.899 0.88 . . . . 0.0 111.647 -158.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.92 161.33 39.14 Favored 'Trans proline' 0 CA--C 1.583 2.964 0 C-N-CA 122.548 2.165 . . . . 0.0 116.547 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.11 114.96 3.61 Favored 'Cis proline' 0 CA--C 1.569 2.228 0 CA-C-N 122.935 2.084 . . . . 0.0 115.36 7.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.08 129.48 20.0 Favored Pre-proline 0 CA--C 1.572 1.821 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.595 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.22 73.57 5.89 Favored 'Trans proline' 0 CA--C 1.572 2.394 0 C-N-CA 122.755 2.304 . . . . 0.0 113.78 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . 0.349 . . 56.81 -126.05 1.88 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -166.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 63.1 m -103.19 169.59 8.46 Favored 'General case' 0 CA--C 1.576 1.973 0 O-C-N 120.975 -1.078 . . . . 0.0 112.688 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.64 -35.68 72.9 Favored 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 118.776 2.88 . . . . 0.0 118.776 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -106.84 145.17 30.54 Favored Pre-proline 0 CA--C 1.587 2.402 0 CA-C-N 119.337 0.972 . . . . 0.0 110.738 164.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.05 -16.01 32.23 Favored 'Trans proline' 0 CA--C 1.569 2.252 0 N-CA-C 121.192 3.497 . . . . 0.0 121.192 -162.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.3 m -86.49 -1.31 57.49 Favored 'General case' 0 CA--C 1.584 2.269 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.53 145.37 30.12 Favored 'General case' 0 CA--C 1.571 1.773 0 O-C-N 120.613 -1.304 . . . . 0.0 113.928 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -137.65 157.66 46.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.941 -1.1 . . . . 0.0 113.677 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.1 126.54 28.95 Favored 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -126.3 99.51 5.89 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.391 0.677 . . . . 0.0 111.075 -172.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.07 160.75 29.48 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -99.5 -59.69 1.67 Allowed 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 165.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -136.54 93.35 2.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.103 -0.998 . . . . 0.0 109.765 -166.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . 0.349 59.7 t80 64.79 -87.62 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 124.571 1.149 . . . . 0.0 113.908 -173.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -122.2 7.75 9.71 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.2 t -79.67 140.26 37.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.366 -2.083 . . . . 0.0 113.455 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . 0.263 . . 53.85 55.94 7.79 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 117.529 2.418 . . . . 0.0 117.529 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.98 99.48 9.95 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 124.146 0.979 . . . . 0.0 112.562 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.501 2.105 0 C-N-CA 123.501 0.72 . . . . 0.0 111.097 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.38 133.54 43.81 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 119.616 -1.927 . . . . 0.0 115.511 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 124.26 28.12 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.859 0.864 . . . . 0.0 110.739 -167.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.3 m -76.81 82.12 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-O 122.517 1.151 . . . . 0.0 111.67 167.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.05 -37.37 66.88 Favored 'General case' 0 CA--C 1.572 1.827 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.8 t -72.25 142.06 48.95 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.7 mt -81.98 -49.96 9.67 Favored 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.76 -80.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.851 0 CA-C-N 120.12 1.327 . . . . 0.0 110.634 169.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.488 1.468 0 CA-C-N 120.102 1.319 . . . . 0.0 109.743 163.653 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 26.6 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.663 HG23 ' HA ' ' A' ' 107' ' ' CYS . 21.2 t -94.58 -9.02 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 66.39 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.38 -34.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -100.02 13.03 35.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 16.4 t-20 -103.05 140.1 37.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -78.91 62.26 3.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 35.5 m 41.96 79.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 156.03 86.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 160.07 40.59 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.54 16.43 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.017 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 59.61 83.07 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -68.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.77 23.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.663 ' HA ' HG23 ' A' ' 94' ' ' VAL . 49.1 t 66.84 162.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.464 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.1 OUTLIER -55.02 -20.81 10.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.33 134.6 14.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.95 8.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.424 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -110.31 -2.01 16.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.87 121.57 45.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -104.9 -169.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 102.17 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HB2' ' CB ' ' A' ' 126' ' ' ARG . 2.0 t80 -89.28 125.95 35.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.7 110.24 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 108.258 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -56.02 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -110.75 -60.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -171.44 -62.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -119.64 0.5 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -113.73 139.56 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.46 67.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 88.6 m -120.54 112.98 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.2 m-85 -146.26 169.17 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -57.96 149.63 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -171.98 151.8 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.5 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.3 p -89.05 158.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 128' ' ' LEU . 2.1 mm? -112.48 -36.9 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -76.38 -1.57 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.9 mp 65.98 -74.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' SER . 70.5 m-80 -97.22 50.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 95' ' ' ALA . 56.4 t -107.68 -114.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.6 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -176.0 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.89 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.431 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 6.0 mtt180 -103.89 8.81 36.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 2.4 m120 -116.52 154.39 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.8 t -70.08 167.77 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -77.14 93.32 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -74.73 160.88 79.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.538 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 161.16 39.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 0.88 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.008 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 72.31 76.42 0.22 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -80.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.72 23.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.8 t 62.14 165.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -20.87 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.07 129.08 25.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.53 7.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 69.8 m -116.22 -3.5 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.64 142.19 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.1 m -129.53 -169.72 2.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.48 106.26 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.88 ' CE1' HD11 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -105.05 141.41 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 116.58 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 2.2 mtt180 -61.75 -41.54 97.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -125.64 171.34 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -37.38 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -125.23 32.53 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.78 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 62.43 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -145.17 111.06 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.9 m-85 -143.82 171.73 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 96' ' ' THR . 1.1 m -65.36 133.35 51.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.728 ' NH1' HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -150.93 146.39 26.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.905 ' C ' HD22 ' A' ' 128' ' ' LEU . 7.2 p -109.57 160.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.905 HD22 ' C ' ' A' ' 127' ' ' VAL . 1.7 mm? -134.66 -46.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -74.9 68.05 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 45.37 -165.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -94.86 14.2 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 82.6 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 125' ' ' CYS . 35.2 t -100.15 -9.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.24 -88.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -175.06 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 mtt85 -95.82 7.87 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -106.44 159.28 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' LYS . 23.0 t -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.1 m -62.98 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 108.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' SER . 7.9 ptmt -74.93 154.13 86.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.55 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 159.87 40.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.561 1.822 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.06 0.58 16.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.978 0.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.441 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.64 71.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.95 121.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.5 t -44.47 165.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -36.02 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.349 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -122.05 136.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.01 8.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.708 ' O ' HG23 ' A' ' 127' ' ' VAL . 3.3 m -111.81 -0.46 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.9 124.32 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.5 OUTLIER -112.45 -169.06 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 131.44 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.978 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -134.94 122.8 22.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ARG . 64.2 m -110.26 95.1 5.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . 11.4 mtm180 -38.61 -50.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 117' ' ' ARG . 32.7 m-85 -140.39 -164.49 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.46 -71.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -124.0 55.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.5 m -114.7 -70.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.06 136.78 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.7 t -145.07 120.54 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.3 m-85 -146.75 -173.98 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.426 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -75.62 116.33 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.3 148.24 51.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 111' ' ' CYS . 1.4 p -85.01 150.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.978 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.8 mm? -120.35 -51.16 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.0 m -90.92 -173.44 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -161.52 29.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -130.67 23.03 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.31 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 40.3 t -94.9 -10.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.33 -89.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.41 -39.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 8.4 mtt180 -95.59 10.18 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.45 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 13.7 t30 -108.77 158.43 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 26.3 t -87.42 154.49 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.28 83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 99' ' ' SER . 1.9 ptmm? -74.74 154.78 87.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 160.25 40.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.33 16.57 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.066 -2.473 . . . . 0.0 110.985 -0.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.63 70.43 0.5 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.75 116.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.7 t -44.44 163.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -21.15 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.62 24.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.765 ' O ' HG23 ' A' ' 127' ' ' VAL . 57.1 m -118.79 1.82 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 126' ' ' ARG . . . -107.2 128.52 54.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -121.58 -159.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.33 128.67 34.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 108.349 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.832 ' CE2' HD11 ' A' ' 128' ' ' LEU . 1.1 t80 -135.01 120.43 19.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.68 108.51 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.98 -51.73 4.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -120.42 -65.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -179.73 -66.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -125.0 45.94 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.76 -60.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -149.09 134.67 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 37.1 m -141.65 128.11 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.248 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.9 m-85 -144.02 -172.89 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.432 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -75.9 141.96 42.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.579 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.87 152.91 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 111' ' ' CYS . 9.2 p -124.35 146.68 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.832 HD11 ' CE2' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -126.02 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.473 ' HB3' ' CA ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -134.71 9.18 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.88 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -107.56 29.93 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.473 ' CA ' ' HB3' ' A' ' 129' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.651 HG11 ' SG ' ' A' ' 125' ' ' CYS . 11.5 t -94.61 -4.36 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.53 -87.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 124' ' ' TYR . 0.8 OUTLIER 174.37 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.603 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 23.7 mtt180 -98.37 20.27 12.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' SER . 54.3 t-20 -109.36 141.04 42.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 7.7 t -78.62 72.11 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.499 ' O ' HG13 ' A' ' 94' ' ' VAL . 10.4 m 66.95 -73.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 66.71 63.82 0.82 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.538 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 126.03 12.18 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.034 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.534 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -143.74 93.22 6.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.613 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 78.35 120.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 4.7 m -54.09 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -21.01 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.23 141.51 34.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.65 7.51 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.55 9.86 10.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -107.32 123.07 47.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -116.87 -173.71 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.4 134.52 34.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.58 ' HE2' HD21 ' A' ' 128' ' ' LEU . 2.3 t80 -134.61 140.34 46.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.82 108.12 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 108.261 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -42.75 -52.87 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.9 -59.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 177.47 -64.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -125.08 36.44 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.2 m -117.62 -65.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.89 129.24 18.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.616 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 35.1 m -142.92 127.65 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.8 m-85 -145.66 176.26 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.651 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -76.33 109.63 10.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.65 154.11 28.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.8 p -85.05 143.94 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.58 HD21 ' HE2' ' A' ' 115' ' ' TYR . 3.6 mt -134.13 37.68 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.21 -159.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.0 tt -157.36 -49.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.33 13.16 16.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.242 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.681 HG11 ' SG ' ' A' ' 125' ' ' CYS . 3.6 t -96.14 138.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.78 -91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -171.69 -39.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -98.09 14.49 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 4.6 m-20 -112.37 155.13 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' LYS . 2.5 t -74.97 150.5 39.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.02 85.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -74.94 150.73 86.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.566 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 154.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.566 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 1.05 16.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.012 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 67.06 63.59 0.77 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.0 54.08 3.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . 61.13 121.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 10.0 m -43.84 164.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 60.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 0.4 OUTLIER 165.57 133.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.52 7.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.4 m -121.41 7.25 10.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 108.282 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -105.73 114.38 28.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 6.1 m -119.09 -170.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 131.89 34.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.249 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.731 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -138.94 139.32 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 8.5 t -135.81 107.36 6.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 108.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -49.28 -55.26 13.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -97.63 176.16 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -48.84 -76.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -124.51 50.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.21 139.16 22.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 51.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.579 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 m -143.82 120.94 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.5 m-85 -143.0 -179.16 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.681 ' SG ' HG11 ' A' ' 94' ' ' VAL . 2.3 m -75.89 108.28 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 108.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.404 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -117.35 155.68 29.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.468 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.4 p -86.93 133.59 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.731 HD11 ' CE1' ' A' ' 115' ' ' TYR . 4.6 mm? -121.43 50.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.65 -154.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 130' ' ' LEU . 11.8 mt -157.29 -59.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -109.31 19.06 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -134.08 155.2 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 98' ' ' ASN . . . -69.48 160.65 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -75.33 -20.94 58.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -105.13 26.21 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.515 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 2.2 t30 -130.94 156.24 45.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.4 t -70.79 148.13 48.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.4 p -62.91 90.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 108.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.672 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -74.08 152.88 88.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.555 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 153.87 41.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 1.92 15.43 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 101' ' ' LYS . . . 55.8 88.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -61.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 107' ' ' CYS . . . -173.9 32.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 106' ' ' ALA . 6.7 m 53.22 174.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.53 58.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER 165.46 127.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.21 6.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.24 10.61 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.31 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.18 126.13 54.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -118.58 -179.07 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.39 104.12 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.648 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -103.78 112.08 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.67 98.81 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.471 ' C ' ' CD1' ' A' ' 118' ' ' PHE . 2.3 mtt-85 -47.08 -37.28 9.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 117' ' ' ARG . 83.7 m-85 -158.09 -169.24 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.38 -71.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -123.47 54.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 118' ' ' PHE . 1.5 t -120.79 -69.7 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -157.4 133.22 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 53.7 t -144.43 120.47 10.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.5 m-85 -144.03 175.7 9.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 4.3 m -77.91 101.06 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -113.17 155.29 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.288 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -84.69 163.64 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.648 HD11 ' CE1' ' A' ' 115' ' ' TYR . 1.8 mm? -127.37 24.04 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.45 144.6 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -55.22 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -102.04 55.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 98' ' ' ASN . 46.1 t -94.75 -9.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 65.77 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.33 -39.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.441 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.8 mtp180 -97.63 13.16 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -109.4 147.07 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' LYS . 47.9 t -76.85 153.48 34.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -59.55 87.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.3 OUTLIER -75.03 146.35 82.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.548 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 159.48 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.99 0.85 16.22 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.016 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.445 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 67.21 74.76 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.06 122.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.1 t -45.37 167.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -21.18 10.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -134.05 140.52 36.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.1 8.12 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.956 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -116.66 4.25 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.97 119.9 40.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -111.14 -164.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 137.46 33.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 4.0 t80 -134.9 147.4 49.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.2 m -144.78 99.09 3.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 18.23 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -133.06 6.81 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.6 t80 69.49 -64.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 23.39 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -154.93 176.16 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 40.39 70.89 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.607 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 16.8 m -111.39 106.41 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.1 m-85 -144.24 171.96 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.1 OUTLIER -61.65 160.56 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER 179.98 153.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 111' ' ' CYS . 2.3 p -104.36 141.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.482 HD23 ' HE2' ' A' ' 115' ' ' TYR . 0.5 OUTLIER -111.54 47.42 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.2 t -165.04 149.26 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.09 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -100.26 56.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.538 HG12 ' SG ' ' A' ' 125' ' ' CYS . 26.8 t -135.25 112.78 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.93 147.08 54.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -54.99 -17.34 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.77 10.43 30.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.465 ' HB3' HG13 ' A' ' 94' ' ' VAL . 41.7 t-20 -105.0 134.53 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.376 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.5 t -78.37 55.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m 41.69 85.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -74.36 157.86 85.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.572 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.0 Cg_endo -75.05 157.48 42.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.572 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.0 -0.39 17.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.012 0.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.407 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.37 71.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.02 6.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.58 -110.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.405 ' HA ' ' HB ' ' A' ' 94' ' ' VAL . 24.8 t -178.2 159.37 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 108.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -19.72 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 108.349 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.34 125.96 21.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 127' ' ' VAL . 20.8 p -113.36 -1.16 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 126' ' ' ARG . . . -106.44 133.41 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -118.32 -167.35 1.34 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 109.982 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 84.3 m -84.37 106.45 15.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.862 ' CE1' HD11 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -104.88 146.21 29.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 6.5 t -146.3 124.02 11.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -55.63 22.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -100.49 -70.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.83 -61.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 39.97 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -51.74 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -153.09 113.99 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.8 m -137.37 119.87 15.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.7 m-85 -144.62 168.03 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.538 ' SG ' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.34 135.27 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.548 ' NH1' HD13 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -150.34 152.43 34.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.696 ' C ' HD22 ' A' ' 128' ' ' LEU . 4.3 p -113.58 153.48 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.862 HD11 ' CE1' ' A' ' 115' ' ' TYR . 2.2 mm? -128.65 47.09 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.0 m -159.92 125.17 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.11 48.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -145.09 34.89 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.695 HG11 ' SG ' ' A' ' 125' ' ' CYS . 21.0 t -94.85 0.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.72 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.64 -33.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.406 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 7.5 mtt180 -98.79 10.02 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 2.4 t30 -111.14 157.6 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.63 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.1 t -73.97 162.91 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.86 93.57 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.316 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.52 152.52 87.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.567 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 155.97 42.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.567 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.01 1.88 15.43 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.024 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 66.33 63.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -49.13 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.25 125.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.8 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.92 9.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -130.08 140.6 39.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 1.0 8.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 127' ' ' VAL . 93.4 m -110.67 -4.58 15.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.61 127.05 48.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -121.54 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 137.12 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.531 ' CD2' ' HB3' ' A' ' 126' ' ' ARG . 0.8 OUTLIER -142.5 125.08 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.1 m -116.49 112.64 21.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.505 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 18.2 mtp85 -56.9 -39.22 74.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -132.05 174.52 10.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -40.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -125.08 51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.51 139.31 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 55.35 103.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 72.1 m -145.03 113.98 6.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.1 m-85 -143.71 -175.35 4.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.695 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.5 m -85.99 121.08 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . 5.2 tpp180 -142.14 153.29 43.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.512 ' C ' HD22 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -84.43 144.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 127' ' ' VAL . 2.3 mm? -106.73 -33.01 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.2 m -83.77 -156.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -164.82 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.13 62.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.467 HG12 ' SG ' ' A' ' 125' ' ' CYS . 3.4 t -95.9 130.6 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.33 147.71 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -18.41 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -110.09 23.27 14.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 1.6 m120 -133.71 148.5 51.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.7 t -76.23 159.77 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.9 m -64.14 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -76.02 145.16 76.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.565 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.0 157.84 42.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.97 1.05 16.02 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.045 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 67.72 64.18 0.68 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.3 Cg_endo -74.97 55.16 3.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 69.33 124.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.5 t -54.66 163.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -20.47 13.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 108.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.43 18.23 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.86 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.439 ' O ' HG23 ' A' ' 127' ' ' VAL . 13.6 t -107.85 -0.83 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 108.318 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.63 128.05 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.367 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -109.94 -167.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.69 106.09 15.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 1.139 ' CD1' HD21 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -105.08 125.19 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.93 104.59 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.252 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -56.37 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.7 OUTLIER -87.71 8.25 26.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 3.2 t80 77.24 -52.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -114.37 -8.0 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 19.9 m -133.1 169.94 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.11 74.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.568 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.3 t -112.07 117.41 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 17.2 m-85 -142.41 169.76 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.467 ' SG ' HG12 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -60.29 150.82 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.58 149.57 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.459 ' C ' HD22 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -85.07 137.01 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.139 HD21 ' CD1' ' A' ' 115' ' ' TYR . 2.1 mm? -132.68 45.55 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 m -163.44 120.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 59.1 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -127.49 -44.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.519 HG11 ' SG ' ' A' ' 125' ' ' CYS . 3.0 t -112.13 140.53 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.04 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -170.5 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 43.5 mtt180 -96.22 9.51 40.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 1.3 t30 -114.08 167.26 10.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.499 ' O ' HG13 ' A' ' 94' ' ' VAL . 40.5 t -79.39 -176.42 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 50.7 m -80.25 -18.67 48.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 100' ' ' CYS . 19.1 ptmt 46.99 64.04 9.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.569 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 158.23 42.4 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.569 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 125.68 11.68 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.995 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.557 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -155.81 161.02 30.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.63 -173.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -80.07 177.76 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 58.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.14 137.03 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 127' ' ' VAL . 66.6 m -114.97 0.98 13.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . . . -108.32 119.25 38.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.4 OUTLIER -120.38 -180.0 4.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 102.55 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 1.058 ' CE1' HD21 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -104.29 132.87 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.93 110.14 19.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 108.318 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -60.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -98.3 -59.55 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 176.66 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.7 34.99 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 m -150.8 139.94 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.08 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 54.1 t -116.51 132.37 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.2 m-85 -144.27 -172.28 3.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.519 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.3 m -86.39 111.92 20.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.428 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.58 158.75 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 111' ' ' CYS . 0.8 OUTLIER -84.69 145.38 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.058 HD21 ' CE1' ' A' ' 115' ' ' TYR . 12.3 mt -135.24 28.94 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.2 m -145.48 171.36 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.0 25.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -136.62 42.93 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 108.304 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.86 134.84 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.73 -94.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.33 -41.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.43 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 61.9 mtt180 -94.48 10.75 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 5.7 m-20 -112.23 151.89 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.3 t -69.63 164.43 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.34 93.32 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -74.73 153.11 87.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.554 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.0 161.57 38.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.99 0.74 16.31 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.025 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 70.42 69.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.17 122.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.22 156.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 108.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -20.58 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -125.11 130.93 24.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 1.55 7.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 132' ' ' CYS . 0.8 OUTLIER -110.11 2.75 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.7 133.36 56.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 6.6 m -126.82 -165.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 97.9 m -84.53 126.26 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.41 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -135.1 136.08 41.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 38.7 m -110.38 99.37 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -50.15 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -91.89 8.55 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.492 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.5 t80 75.76 -54.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.68 8.88 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.33 169.26 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 42.71 71.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 1.2 t -113.36 121.06 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 15.0 m-85 -143.16 179.01 7.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -71.68 111.5 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' CB ' ' CB ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -131.59 148.18 52.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.62 169.47 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.02 -46.57 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -159.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.95 44.63 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -114.6 -36.47 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 99' ' ' SER . 95.8 t -94.86 -6.25 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.48 -99.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.69 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.07 21.45 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.41 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.1 t-20 -123.24 159.06 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.844 ' O ' HG13 ' A' ' 94' ' ' VAL . 47.4 t -75.13 165.81 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.684 ' HA ' HG21 ' A' ' 94' ' ' VAL . 61.6 m -70.42 61.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -90.46 132.14 36.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.572 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.97 157.73 42.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.572 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.94 127.77 15.06 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.525 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -135.0 93.07 17.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.08 57.77 4.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 84.07 16.59 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 106' ' ' ALA . 5.0 t 87.13 164.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -21.01 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 135.91 28.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.17 8.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.781 ' O ' HG23 ' A' ' 127' ' ' VAL . 2.6 m -113.89 3.8 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.38 136.56 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -126.82 -174.78 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.1 m -84.39 102.66 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.799 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER -105.11 149.13 26.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.9 m -133.76 109.13 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 mtm180 -43.41 -43.49 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -130.98 -175.67 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.74 -64.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -124.32 50.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.94 126.87 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 117' ' ' ARG . . . 59.94 113.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.591 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 51.6 m -144.45 102.08 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 21.6 m-85 -143.49 -178.72 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.8 OUTLIER -67.05 148.86 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -171.99 143.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -84.94 151.33 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.799 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.2 mm? -108.44 -47.9 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.5 m -97.9 125.28 42.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.3 -44.46 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 108.265 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 100' ' ' CYS . 54.0 t -120.57 -2.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.39 -90.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -172.67 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -95.45 12.34 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.481 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -111.79 161.13 16.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.462 ' O ' HG13 ' A' ' 94' ' ' VAL . 22.0 t -84.79 152.98 23.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.655 ' HA ' HG21 ' A' ' 94' ' ' VAL . 2.6 m -69.16 69.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -81.77 114.35 49.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.551 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.98 157.92 42.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 127.86 15.28 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.973 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.525 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -138.18 93.44 11.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.4 Cg_endo -74.98 69.74 5.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 84.91 134.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 106' ' ' ALA . 34.8 m -47.67 172.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -20.81 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.97 139.23 28.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.3 7.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.1 m -119.54 4.71 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.23 123.0 47.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -114.17 -169.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.4 135.05 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 1.133 ' CZ ' HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -146.91 162.55 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 85.7 m -144.94 95.31 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -42.54 -48.55 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -117.14 -171.56 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -57.32 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.55 42.87 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -133.31 15.18 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . -178.21 109.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 26.6 m -145.74 105.72 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 23.3 m-85 -144.76 -172.2 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.465 ' SG ' HG11 ' A' ' 94' ' ' VAL . 1.3 m -88.6 112.93 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.471 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 126' ' ' ARG . 1.6 p -84.37 130.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.133 HD21 ' CZ ' ' A' ' 115' ' ' TYR . 5.3 mt -135.15 35.25 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -95.09 179.13 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.56 -80.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -104.56 23.46 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 129' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 38.5 t -94.15 -3.9 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.41 -88.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -179.96 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -98.63 18.12 17.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 11.5 t-20 -106.96 138.88 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 100' ' ' CYS . 3.5 t -88.18 52.28 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 61.39 117.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 99.29 13.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.562 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 156.31 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.95 127.63 14.81 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.063 -2.474 . . . . 0.0 111.001 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.524 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -134.87 99.78 12.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 86.08 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.81 133.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.1 t -45.16 166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.272 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -21.01 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 52.1 m-20 -127.14 144.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 2.63 6.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 129' ' ' SER . 1.8 t -127.06 11.57 7.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -106.9 110.92 23.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -105.98 -178.52 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.038 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.1 109.08 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 108.249 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 1.008 ' CE1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -97.76 128.66 44.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 15.5 m -117.69 100.94 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.359 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -45.66 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.28 -70.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -166.12 -61.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -118.37 3.58 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.08 152.98 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 40.48 70.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.7 t -132.06 116.12 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 24.2 m-85 -148.51 173.98 12.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -59.38 141.41 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.581 ' HG2' ' CD2' ' A' ' 115' ' ' TYR . 19.3 tpp180 -154.26 158.21 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.754 ' C ' HD22 ' A' ' 128' ' ' LEU . 2.2 p -103.24 150.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.008 HD11 ' CE1' ' A' ' 115' ' ' TYR . 2.3 mm? -123.39 -54.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.449 ' O ' HD12 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -74.95 -159.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 129' ' ' SER . 0.2 OUTLIER -155.04 -46.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -97.52 49.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.603 HG23 ' HA ' ' A' ' 107' ' ' CYS . 21.2 t -94.41 -7.92 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.93 -83.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER 174.57 -33.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 2.1 mtt85 -99.09 14.82 27.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.495 ' HB3' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -105.44 142.85 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.49 ' N ' HD22 ' A' ' 98' ' ' ASN . 37.9 t -79.61 63.4 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 4.5 m 40.55 82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.424 ' HB3' ' ND2' ' A' ' 98' ' ' ASN . 3.7 ptpp? -79.35 147.22 68.09 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.557 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.97 156.52 43.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -74.99 0.51 16.45 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.98 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 103' ' ' PRO . . . 70.55 85.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 57.38 4.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.09 18.43 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.603 ' HA ' HG23 ' A' ' 94' ' ' VAL . 19.6 t 73.03 157.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -20.88 9.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.54 132.2 20.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 46.8 m -112.68 3.32 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.09 131.34 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.5 OUTLIER -118.2 -168.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.058 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 74.8 m -84.54 105.99 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.499 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.7 OUTLIER -105.01 133.08 50.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.34 86.5 2.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -44.49 -51.81 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -103.11 165.3 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.72 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.72 17.23 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.1 m -118.61 165.92 13.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 41.7 82.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 95.4 m -127.97 103.46 7.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 97' ' ' ARG . 20.3 m-85 -145.51 173.98 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -64.18 128.37 35.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -152.84 146.48 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.67 162.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 115' ' ' TYR . 3.9 mm? -108.96 -44.93 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 m -104.85 134.68 47.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 76.67 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.61 -47.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.297 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.698 HG11 ' SG ' ' A' ' 125' ' ' CYS . 32.0 t -95.2 -6.0 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.14 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -173.51 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 124' ' ' TYR . 6.8 mtt180 -99.44 19.35 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -119.05 158.54 25.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.598 ' O ' HG13 ' A' ' 94' ' ' VAL . 38.2 t -75.3 149.16 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.611 ' HA ' HG21 ' A' ' 94' ' ' VAL . 2.5 m -69.26 77.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 5.1 ptmt -74.96 113.63 26.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.567 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.98 159.16 41.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.567 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 127.63 14.82 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.022 -0.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.528 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . -144.39 90.74 6.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.03 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.07 122.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.74 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -20.91 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 130.05 24.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.46 7.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.9 m -115.69 6.24 14.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.8 122.6 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.1 OUTLIER -105.5 -163.97 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 82.6 m -84.69 151.57 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 126' ' ' ARG . 0.1 OUTLIER -150.81 114.2 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 123' ' ' CYS . 77.3 m -108.57 107.24 17.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -48.75 -45.54 39.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.35 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.9 -66.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.0 45.32 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.96 -60.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -150.03 112.19 4.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 52.5 t -141.12 127.88 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 22.1 m-85 -143.89 -178.82 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.698 ' SG ' HG11 ' A' ' 94' ' ' VAL . 3.1 m -80.4 108.04 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.534 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -119.09 157.41 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.9 m -85.95 162.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.13 -45.03 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -104.59 107.98 19.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 73.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.2 m120 -145.09 -46.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.632 HG12 ' HB2' ' A' ' 125' ' ' CYS . 46.9 t -94.86 128.89 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.59 -89.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.8 OUTLIER -164.57 -42.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 124' ' ' TYR . 31.2 mtp180 -94.8 8.87 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.412 ' N ' ' HB3' ' A' ' 124' ' ' TYR . 3.2 t-20 -106.42 155.67 19.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 t -68.04 159.1 31.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 2.0 m -56.82 -33.69 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 ptmt 44.71 63.83 8.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.602 ' HA ' ' N ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 154.63 42.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 124.46 10.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.985 -0.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 100' ' ' CYS . . . -96.01 128.82 35.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 18.3 Cg_endo -74.94 54.59 3.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 69.42 120.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -42.98 162.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 94' ' ' VAL . 71.8 m -54.73 -21.13 9.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.76 138.84 29.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.77 7.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.56 7.58 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.15 119.42 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.3 OUTLIER -115.63 -164.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 138.26 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 126' ' ' ARG . 1.1 t80 -143.6 117.62 9.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 24.5 m -104.7 124.36 49.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -71.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.538 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 24.3 m-85 -87.83 -4.37 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 78.1 -53.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 48.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.465 ' HB2' ' CB ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER -150.67 -61.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.01 134.45 28.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.62 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 17.2 t -145.31 122.18 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 108.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 14.2 m-85 -145.45 -177.39 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.632 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -64.25 164.61 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER 171.64 150.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 127' ' ' VAL . 5.0 m -84.7 151.86 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 128' ' ' LEU . 3.2 mm? -105.08 -24.85 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 p 48.25 -175.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.55 -57.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -115.64 17.6 16.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 108.274 -179.973 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 108' ' ' CYS . 27.9 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 11.9 t -94.98 131.82 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.92 -92.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' CYS . 0.9 OUTLIER -164.37 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.377 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 5.1 mtp180 -94.52 11.61 30.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 124' ' ' TYR . 10.9 m-80 -109.51 152.94 24.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 171.08 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.54 88.25 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 102' ' ' PRO . 10.3 tttp -74.83 142.39 76.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 159.61 41.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.02 1.07 16.17 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.989 0.06 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.446 ' N ' ' HA ' ' A' ' 102' ' ' PRO . . . 60.95 91.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -159.47 26.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.2 t 60.93 153.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -75.05 58.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER 164.05 123.18 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 1.98 7.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.618 ' O ' HG23 ' A' ' 127' ' ' VAL . 1.3 m -122.98 5.09 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 109' ' ' ASP . . . -117.16 118.62 32.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' CYS . 0.2 OUTLIER -119.34 -164.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 90.7 m -83.83 130.35 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.361 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.557 ' CE1' HD21 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -145.68 145.42 30.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.72 127.2 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.97 -62.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.02 -171.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.08 -76.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -120.79 33.65 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.6 p -149.87 175.73 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 50.5 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -138.81 123.05 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 123' ' ' CYS . 20.3 m-85 -143.86 -176.97 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 113' ' ' SER . 0.4 OUTLIER -77.81 110.24 12.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 127' ' ' VAL . 0.0 OUTLIER -121.01 157.5 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 111' ' ' CYS . 0.5 OUTLIER -86.81 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 115' ' ' TYR . 15.0 mt -135.01 26.91 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.46 -160.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.02 -47.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -100.14 37.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.297 -179.966 . . . . . . . . 0 0 . 1 stop_ save_