data_2fr9_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 2fr9 _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 ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.46 -9.79 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.79 160.03 81.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.01 -25.83 11.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.42 -21.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 27.5 m -61.28 -16.0 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.73 -125.27 13.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 0.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.13 30.4 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 -9.65 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.75 159.91 82.07 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -74.98 -25.76 11.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -21.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 25.8 m -61.79 -15.6 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.13 -125.94 13.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -81.21 0.04 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.26 30.33 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 111.003 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.03 -9.2 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.325 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.83 160.01 81.77 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.0 -25.79 11.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.42 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 5' ' ' PRO . 22.3 m -62.65 -14.98 49.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.17 -124.94 14.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -81.17 -0.38 40.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.25 40.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.17 10.27 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.412 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -94.98 173.29 4.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.424 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.99 -36.9 2.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.0 -25.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.2 m -53.47 -21.43 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 108.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.72 -127.01 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -0.63 41.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.2 35.54 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.585 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.11 12.56 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.347 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -95.08 176.03 2.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -74.97 -38.27 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.53 -24.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.5 m -56.04 -19.76 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.01 -127.95 9.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 0.99 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.05 41.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -9.21 13.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 108.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 163.44 68.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.94 -29.02 8.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.99 -22.79 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 37.1 m -58.76 -17.67 25.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.47 -126.17 15.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -2.03 47.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -95.32 45.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.565 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.0 10.4 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 m-20 -95.05 170.96 7.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -34.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.55 -23.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.41 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.1 m -56.3 -19.52 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.12 -126.61 10.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -0.58 41.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.28 45.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.46 -8.24 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -74.8 158.94 84.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.5 12.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.49 -20.29 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 12.0 m -66.09 -12.46 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.49 -126.11 11.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.25 -1.94 46.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.25 49.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.638 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.09 10.52 10.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.07 169.01 10.05 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.04 -33.3 4.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.36 -23.23 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' N ' ' C ' ' A' ' 5' ' ' PRO . 38.7 m -58.08 -18.22 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.7 -125.97 12.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -0.93 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.24 46.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.15 10.2 17.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.05 165.26 17.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -30.22 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.52 -22.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 33.7 m -59.94 -16.98 34.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -125.7 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.138 . . . . 0.0 111.041 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -0.07 38.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -95.17 35.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.54 10.43 13.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.09 167.06 13.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.93 -22.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 m -59.09 -17.44 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.19 -125.53 12.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -81.23 -0.88 42.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -95.2 46.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.9 10.24 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.07 165.96 15.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.81 6.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.12 -22.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -59.29 -17.46 29.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.8 -125.79 12.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -0.91 42.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 40.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.594 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 10.56 11.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.04 168.99 10.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -33.22 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.42 -23.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 39.7 m -57.95 -18.34 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.5 -126.84 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.22 -1.6 45.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 0.804 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -95.18 46.75 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.37 10.19 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.97 165.61 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.36 7.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.34 -22.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.8 m -59.85 -16.98 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.272 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.16 -126.6 11.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CD ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.18 -0.92 42.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.349 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.22 36.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.58 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.0 10.84 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.05 167.23 13.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.82 5.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.458 1.768 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.05 -22.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.9 m -59.31 -17.38 28.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.03 -126.59 10.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -0.91 42.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.19 46.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.619 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.94 10.77 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.02 164.14 20.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.96 -29.05 8.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.78 -21.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' PRO . 23.7 m -62.71 -14.93 50.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.1 -125.64 12.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -0.69 41.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.18 46.94 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 10.75 10.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -95.05 175.97 2.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.06 -38.52 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 8' ' ' GLY . . . -45.8 -25.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 5' ' ' PRO . 59.9 m -52.75 -21.94 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 6' ' ' ALA . . . 45.19 -127.98 7.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -1.63 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 t60 -95.19 40.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.65 -6.18 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.246 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.82 161.68 76.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.7 10.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -19.42 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 6.7 m -69.05 -10.34 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.81 -127.16 8.76 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -81.27 -2.33 48.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.27 53.71 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 -6.02 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.408 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.78 164.05 64.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.87 8.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.13 -20.28 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 11.8 m -66.42 -12.34 56.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.81 -126.9 10.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -0.2 39.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 46.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.662 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.93 -11.28 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.84 162.65 72.65 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.01 -28.57 9.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.56 -24.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.9 m -55.72 -19.81 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.05 -125.09 26.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -0.21 39.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 0.8 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 30.48 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.84 11.75 22.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -94.98 162.64 24.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.45 -20.17 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' HIS . 11.1 m -66.73 -11.95 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 -126.7 9.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -2.35 48.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 22.0 t60 -95.25 55.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.22 87.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 108.318 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -109.46 -9.79 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.79 160.03 81.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.01 -25.83 11.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.42 -21.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 27.5 m -61.28 -16.0 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.73 -125.27 13.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 0.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.13 30.4 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -51.94 130.58 29.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.0 t . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 114.522 -1.217 . . . . 0.0 108.325 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.25 87.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 108.275 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -109.26 -9.65 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.75 159.91 82.07 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -74.98 -25.76 11.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -21.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 25.8 m -61.79 -15.6 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.13 -125.94 13.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -81.21 0.04 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.26 30.33 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -50.11 133.85 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.308 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.24 87.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -109.03 -9.2 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.325 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.83 160.01 81.77 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.0 -25.79 11.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.42 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 5' ' ' PRO . 22.3 m -62.65 -14.98 49.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.17 -124.94 14.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -81.17 -0.38 40.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.25 40.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -60.16 128.58 37.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.281 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 t -162.26 97.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.17 10.27 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.412 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -94.98 173.29 4.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.424 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.99 -36.9 2.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.0 -25.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.2 m -53.47 -21.43 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 108.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.72 -127.01 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -0.63 41.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.2 35.54 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.585 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.58 126.3 26.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.6 t . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.284 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.5 t -162.27 94.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 108.316 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.11 12.56 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.347 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -95.08 176.03 2.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -74.97 -38.27 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.53 -24.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.5 m -56.04 -19.76 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.01 -127.95 9.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 0.99 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.05 41.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.12 125.99 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.289 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.23 89.75 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -113.15 -9.21 13.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 108.322 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 163.44 68.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.94 -29.02 8.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.99 -22.79 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 37.1 m -58.76 -17.67 25.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.47 -126.17 15.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -2.03 47.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -95.32 45.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.565 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.04 134.22 53.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.303 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.31 96.73 0.98 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.0 10.4 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 m-20 -95.05 170.96 7.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -34.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.55 -23.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.41 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.1 m -56.3 -19.52 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.12 -126.61 10.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -0.58 41.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.28 45.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.0 130.14 42.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.312 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.21 87.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.199 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -107.46 -8.24 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.317 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -74.8 158.94 84.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.5 12.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.49 -20.29 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 12.0 m -66.09 -12.46 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.49 -126.11 11.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.25 -1.94 46.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.25 49.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.638 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -63.29 136.81 57.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.199 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.296 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.401 ' N ' ' OE1' ' A' ' 1' ' ' GLU . 14.3 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.29 95.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 108.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.28 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.09 10.52 10.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.07 169.01 10.05 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.04 -33.3 4.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.36 -23.23 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' N ' ' C ' ' A' ' 5' ' ' PRO . 38.7 m -58.08 -18.22 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.7 -125.97 12.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -0.93 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.24 46.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.94 126.36 28.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.28 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 t . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.309 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.26 87.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.331 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.15 10.2 17.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.05 165.26 17.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -30.22 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.52 -22.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 33.7 m -59.94 -16.98 34.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -125.7 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.138 . . . . 0.0 111.041 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -0.07 38.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -95.17 35.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.67 129.09 37.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.2 t . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.324 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.31 91.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.259 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -117.54 10.43 13.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.09 167.06 13.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.93 -22.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 m -59.09 -17.44 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.19 -125.53 12.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -81.23 -0.88 42.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -95.2 46.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.66 129.43 39.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . 0.418 ' CE1' ' HI1' ' A' ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.334 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.3 87.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.302 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.9 10.24 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.07 165.96 15.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.81 6.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.12 -22.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -59.29 -17.46 29.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.8 -125.79 12.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -0.91 42.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 40.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.594 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -60.03 129.9 44.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.302 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 t . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.241 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.29 94.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -120.37 10.56 11.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.04 168.99 10.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -33.22 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.42 -23.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 39.7 m -57.95 -18.34 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.5 -126.84 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.22 -1.6 45.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 0.804 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -95.18 46.75 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.61 129.22 38.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 t . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.292 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.2 87.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.37 10.19 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.97 165.61 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.36 7.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.34 -22.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.8 m -59.85 -16.98 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.272 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.16 -126.6 11.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CD ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.18 -0.92 42.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.349 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.22 36.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.58 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.77 130.14 39.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.6 t . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.306 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.21 91.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.256 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -117.0 10.84 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.05 167.23 13.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.82 5.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.458 1.768 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.05 -22.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.9 m -59.31 -17.38 28.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.03 -126.59 10.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -0.91 42.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.19 46.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.619 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.03 131.8 47.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.256 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 114.526 -1.216 . . . . 0.0 108.341 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.22 87.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 108.277 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -112.94 10.77 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.02 164.14 20.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.96 -29.05 8.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.78 -21.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' PRO . 23.7 m -62.71 -14.93 50.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.1 -125.64 12.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -0.69 41.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.18 46.94 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.0 128.69 36.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 t . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.296 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 t -162.3 96.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.219 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.13 10.75 10.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -95.05 175.97 2.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.06 -38.52 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 8' ' ' GLY . . . -45.8 -25.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 5' ' ' PRO . 59.9 m -52.75 -21.94 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 6' ' ' ALA . . . 45.19 -127.98 7.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -1.63 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 t60 -95.19 40.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.15 126.73 28.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.219 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.342 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.08 95.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -112.65 -6.18 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.246 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.82 161.68 76.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.7 10.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -19.42 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 6.7 m -69.05 -10.34 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.81 -127.16 8.76 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -81.27 -2.33 48.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.27 53.71 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.1 142.88 57.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.267 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.04 97.02 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.34 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.34 -6.02 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.408 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.78 164.05 64.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.87 8.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.13 -20.28 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 11.8 m -66.42 -12.34 56.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.81 -126.9 10.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -0.2 39.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 46.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.662 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -65.99 134.95 54.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 114.528 -1.214 . . . . 0.0 108.302 -178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.26 87.37 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.93 -11.28 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.84 162.65 72.65 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.01 -28.57 9.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.56 -24.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.9 m -55.72 -19.81 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.05 -125.09 26.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -0.21 39.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 0.8 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 30.48 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -54.16 123.75 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.324 -178.858 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.21 87.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -110.84 11.75 22.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.303 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -94.98 162.64 24.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.45 -20.17 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' HIS . 11.1 m -66.73 -11.95 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 -126.7 9.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -2.35 48.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 22.0 t60 -95.25 55.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.97 138.38 57.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 114.525 -1.216 . . . . 0.0 108.301 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.46 -9.79 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.79 160.03 81.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.01 -25.83 11.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.42 -21.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 27.5 m -61.28 -16.0 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.73 -125.27 13.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 0.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.13 30.4 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 -9.65 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.75 159.91 82.07 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -74.98 -25.76 11.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -21.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 25.8 m -61.79 -15.6 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.13 -125.94 13.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -81.21 0.04 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.26 30.33 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 111.003 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.03 -9.2 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.325 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.83 160.01 81.77 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.0 -25.79 11.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.42 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 5' ' ' PRO . 22.3 m -62.65 -14.98 49.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.17 -124.94 14.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -81.17 -0.38 40.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.25 40.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.17 10.27 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.412 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -94.98 173.29 4.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.424 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.99 -36.9 2.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.0 -25.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.2 m -53.47 -21.43 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 108.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.72 -127.01 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -0.63 41.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.2 35.54 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.585 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.11 12.56 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.347 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -95.08 176.03 2.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -74.97 -38.27 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.53 -24.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.5 m -56.04 -19.76 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.01 -127.95 9.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 0.99 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.05 41.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -9.21 13.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 108.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 163.44 68.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.94 -29.02 8.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.99 -22.79 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 37.1 m -58.76 -17.67 25.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.47 -126.17 15.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -2.03 47.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -95.32 45.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.565 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.0 10.4 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 m-20 -95.05 170.96 7.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -34.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.55 -23.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.41 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.1 m -56.3 -19.52 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.12 -126.61 10.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -0.58 41.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.28 45.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.46 -8.24 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -74.8 158.94 84.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.5 12.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.49 -20.29 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 12.0 m -66.09 -12.46 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.49 -126.11 11.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.25 -1.94 46.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.25 49.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.638 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.09 10.52 10.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.07 169.01 10.05 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.04 -33.3 4.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.36 -23.23 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' N ' ' C ' ' A' ' 5' ' ' PRO . 38.7 m -58.08 -18.22 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.7 -125.97 12.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -0.93 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.24 46.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.15 10.2 17.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.05 165.26 17.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -30.22 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.52 -22.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 33.7 m -59.94 -16.98 34.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -125.7 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.138 . . . . 0.0 111.041 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -0.07 38.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -95.17 35.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.54 10.43 13.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.09 167.06 13.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.93 -22.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 m -59.09 -17.44 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.19 -125.53 12.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -81.23 -0.88 42.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -95.2 46.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.9 10.24 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.07 165.96 15.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.81 6.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.12 -22.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -59.29 -17.46 29.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.8 -125.79 12.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -0.91 42.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 40.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.594 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 10.56 11.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.04 168.99 10.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -33.22 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.42 -23.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 39.7 m -57.95 -18.34 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.5 -126.84 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.22 -1.6 45.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 0.804 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -95.18 46.75 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.37 10.19 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.97 165.61 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.36 7.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.34 -22.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.8 m -59.85 -16.98 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.272 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.16 -126.6 11.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CD ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.18 -0.92 42.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.349 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.22 36.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.58 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.0 10.84 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.05 167.23 13.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.82 5.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.458 1.768 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.05 -22.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.9 m -59.31 -17.38 28.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.03 -126.59 10.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -0.91 42.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.19 46.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.619 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.94 10.77 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.02 164.14 20.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.96 -29.05 8.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.78 -21.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' PRO . 23.7 m -62.71 -14.93 50.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.1 -125.64 12.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -0.69 41.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.18 46.94 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 10.75 10.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -95.05 175.97 2.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.06 -38.52 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 8' ' ' GLY . . . -45.8 -25.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 5' ' ' PRO . 59.9 m -52.75 -21.94 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 6' ' ' ALA . . . 45.19 -127.98 7.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -1.63 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 t60 -95.19 40.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.65 -6.18 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.246 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.82 161.68 76.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.7 10.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -19.42 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 6.7 m -69.05 -10.34 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.81 -127.16 8.76 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -81.27 -2.33 48.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.27 53.71 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 -6.02 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.408 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.78 164.05 64.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.87 8.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.13 -20.28 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 11.8 m -66.42 -12.34 56.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.81 -126.9 10.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -0.2 39.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 46.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.662 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.93 -11.28 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.84 162.65 72.65 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.01 -28.57 9.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.56 -24.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.9 m -55.72 -19.81 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.05 -125.09 26.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -0.21 39.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 0.8 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 30.48 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.84 11.75 22.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -94.98 162.64 24.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.45 -20.17 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' HIS . 11.1 m -66.73 -11.95 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 -126.7 9.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -2.35 48.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 22.0 t60 -95.25 55.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.22 87.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 108.318 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -109.46 -9.79 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.79 160.03 81.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.01 -25.83 11.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.42 -21.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 27.5 m -61.28 -16.0 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.73 -125.27 13.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 0.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.13 30.4 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -51.94 130.58 29.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.0 t . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 114.522 -1.217 . . . . 0.0 108.325 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.25 87.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 108.275 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -109.26 -9.65 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.75 159.91 82.07 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -74.98 -25.76 11.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -21.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 25.8 m -61.79 -15.6 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.13 -125.94 13.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -81.21 0.04 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.26 30.33 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -50.11 133.85 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.308 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.24 87.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -109.03 -9.2 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.325 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.83 160.01 81.77 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.0 -25.79 11.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.42 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 5' ' ' PRO . 22.3 m -62.65 -14.98 49.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.17 -124.94 14.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -81.17 -0.38 40.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.25 40.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -60.16 128.58 37.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.281 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 t -162.26 97.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.17 10.27 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.412 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -94.98 173.29 4.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.424 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.99 -36.9 2.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.0 -25.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.2 m -53.47 -21.43 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 108.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.72 -127.01 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -0.63 41.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.2 35.54 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.585 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.58 126.3 26.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.6 t . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.284 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.5 t -162.27 94.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 108.316 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.11 12.56 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.347 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -95.08 176.03 2.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -74.97 -38.27 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.53 -24.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.5 m -56.04 -19.76 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.01 -127.95 9.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 0.99 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.05 41.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.12 125.99 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.289 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.23 89.75 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -113.15 -9.21 13.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 108.322 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 163.44 68.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.94 -29.02 8.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.99 -22.79 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 37.1 m -58.76 -17.67 25.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.47 -126.17 15.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -2.03 47.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -95.32 45.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.565 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.04 134.22 53.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.303 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.31 96.73 0.98 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.0 10.4 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 m-20 -95.05 170.96 7.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -34.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.55 -23.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.41 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.1 m -56.3 -19.52 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.12 -126.61 10.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -0.58 41.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.28 45.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.0 130.14 42.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.312 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.21 87.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -107.46 -8.24 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.317 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -74.8 158.94 84.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.5 12.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.49 -20.29 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 12.0 m -66.09 -12.46 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.49 -126.11 11.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.25 -1.94 46.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.25 49.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.638 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -63.29 136.81 57.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.296 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.29 95.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 108.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.28 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.09 10.52 10.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.07 169.01 10.05 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.04 -33.3 4.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.36 -23.23 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' N ' ' C ' ' A' ' 5' ' ' PRO . 38.7 m -58.08 -18.22 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.7 -125.97 12.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -0.93 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.24 46.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.94 126.36 28.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.28 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 t . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.309 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.26 87.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.331 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.15 10.2 17.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.05 165.26 17.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -30.22 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.52 -22.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 33.7 m -59.94 -16.98 34.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -125.7 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.138 . . . . 0.0 111.041 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -0.07 38.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -95.17 35.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.67 129.09 37.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.2 t . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.324 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.31 91.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.259 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -117.54 10.43 13.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.09 167.06 13.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.93 -22.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 m -59.09 -17.44 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.19 -125.53 12.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -81.23 -0.88 42.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -95.2 46.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.66 129.43 39.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PBF . . . . . 0.433 ' CE1' ' HI1' ' A' ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.334 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.3 87.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.302 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.9 10.24 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.07 165.96 15.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.81 6.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.12 -22.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -59.29 -17.46 29.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.8 -125.79 12.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -0.91 42.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 40.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.594 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -60.03 129.9 44.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.302 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 t . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.241 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.29 94.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -120.37 10.56 11.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.04 168.99 10.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -33.22 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.42 -23.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 39.7 m -57.95 -18.34 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.5 -126.84 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.22 -1.6 45.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 0.804 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -95.18 46.75 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.61 129.22 38.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 t . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.292 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.2 87.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.37 10.19 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.97 165.61 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.36 7.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.34 -22.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.8 m -59.85 -16.98 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.272 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.16 -126.6 11.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CD ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.18 -0.92 42.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.349 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.22 36.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.58 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.77 130.14 39.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.6 t . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.306 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.21 91.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.256 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -117.0 10.84 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.05 167.23 13.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.82 5.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.458 1.768 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.05 -22.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.9 m -59.31 -17.38 28.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.03 -126.59 10.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -0.91 42.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.19 46.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.619 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.03 131.8 47.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.256 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 114.526 -1.216 . . . . 0.0 108.341 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.22 87.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 108.277 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.068 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -112.94 10.77 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.02 164.14 20.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.96 -29.05 8.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.78 -21.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' PRO . 23.7 m -62.71 -14.93 50.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.1 -125.64 12.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -0.69 41.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.18 46.94 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.0 128.69 36.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.068 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 t . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.296 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 t -162.3 96.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.13 10.75 10.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -95.05 175.97 2.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.06 -38.52 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 8' ' ' GLY . . . -45.8 -25.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 5' ' ' PRO . 59.9 m -52.75 -21.94 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 6' ' ' ALA . . . 45.19 -127.98 7.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -1.63 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 t60 -95.19 40.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.15 126.73 28.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PBF . . . . . 0.415 ' HI2' ' HE2' ' A' ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.342 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.08 95.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -112.65 -6.18 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.246 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.82 161.68 76.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.7 10.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -19.42 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 6.7 m -69.05 -10.34 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.81 -127.16 8.76 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -81.27 -2.33 48.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.27 53.71 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.1 142.88 57.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.267 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.04 97.02 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.34 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.34 -6.02 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.408 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.78 164.05 64.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.87 8.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.13 -20.28 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 11.8 m -66.42 -12.34 56.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.81 -126.9 10.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -0.2 39.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 46.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.662 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -65.99 134.95 54.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 114.528 -1.214 . . . . 0.0 108.302 -178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.26 87.37 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.93 -11.28 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.84 162.65 72.65 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.01 -28.57 9.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.56 -24.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.9 m -55.72 -19.81 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.05 -125.09 26.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -0.21 39.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 0.8 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 30.48 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -54.16 123.75 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.324 -178.858 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.21 87.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -110.84 11.75 22.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.303 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -94.98 162.64 24.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.45 -20.17 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' HIS . 11.1 m -66.73 -11.95 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 -126.7 9.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -2.35 48.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 22.0 t60 -95.25 55.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.97 138.38 57.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 114.525 -1.216 . . . . 0.0 108.301 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.46 -9.79 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.79 160.03 81.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.01 -25.83 11.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.42 -21.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 27.5 m -61.28 -16.0 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.73 -125.27 13.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 0.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.13 30.4 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 -9.65 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.75 159.91 82.07 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -74.98 -25.76 11.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -21.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 25.8 m -61.79 -15.6 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.13 -125.94 13.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -81.21 0.04 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.26 30.33 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 111.003 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.03 -9.2 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.325 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.83 160.01 81.77 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.0 -25.79 11.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.42 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 5' ' ' PRO . 22.3 m -62.65 -14.98 49.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.17 -124.94 14.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.41 HH12 ' CE1' ' A' ' 10' ' ' HIS . 1.3 ptt85 -81.17 -0.38 40.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.41 ' CE1' HH12 ' A' ' 9' ' ' ARG . 0.6 OUTLIER -95.25 40.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.17 10.27 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.412 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -94.98 173.29 4.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.424 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.99 -36.9 2.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.0 -25.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.2 m -53.47 -21.43 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 108.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.72 -127.01 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -0.63 41.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.2 35.54 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.585 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.11 12.56 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.347 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -95.08 176.03 2.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -74.97 -38.27 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.53 -24.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.5 m -56.04 -19.76 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.01 -127.95 9.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 0.99 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.05 41.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -9.21 13.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 108.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 163.44 68.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.94 -29.02 8.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.99 -22.79 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 37.1 m -58.76 -17.67 25.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.47 -126.17 15.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -2.03 47.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -95.32 45.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.565 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.0 10.4 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 m-20 -95.05 170.96 7.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -34.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.55 -23.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.41 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.1 m -56.3 -19.52 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.12 -126.61 10.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -0.58 41.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.28 45.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.46 -8.24 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -74.8 158.94 84.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.5 12.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.49 -20.29 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 12.0 m -66.09 -12.46 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.49 -126.11 11.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.25 -1.94 46.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.25 49.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.638 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.09 10.52 10.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.07 169.01 10.05 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.04 -33.3 4.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.36 -23.23 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' N ' ' C ' ' A' ' 5' ' ' PRO . 38.7 m -58.08 -18.22 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.7 -125.97 12.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -0.93 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.24 46.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.15 10.2 17.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.05 165.26 17.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -30.22 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.52 -22.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 33.7 m -59.94 -16.98 34.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -125.7 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.138 . . . . 0.0 111.041 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -0.07 38.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -95.17 35.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.54 10.43 13.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.09 167.06 13.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.93 -22.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 m -59.09 -17.44 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.19 -125.53 12.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -81.23 -0.88 42.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -95.2 46.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.9 10.24 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.07 165.96 15.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.81 6.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.12 -22.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -59.29 -17.46 29.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.8 -125.79 12.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -0.91 42.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 40.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.594 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 10.56 11.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.04 168.99 10.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -33.22 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.42 -23.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 39.7 m -57.95 -18.34 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.5 -126.84 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.22 -1.6 45.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 0.804 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -95.18 46.75 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.37 10.19 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.97 165.61 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.36 7.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.34 -22.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.8 m -59.85 -16.98 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.272 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.16 -126.6 11.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CD ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.18 -0.92 42.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.349 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.22 36.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.58 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.0 10.84 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.05 167.23 13.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.82 5.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.458 1.768 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.05 -22.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.9 m -59.31 -17.38 28.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.03 -126.59 10.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -0.91 42.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.19 46.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.619 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.94 10.77 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.02 164.14 20.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.96 -29.05 8.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.78 -21.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' PRO . 23.7 m -62.71 -14.93 50.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.1 -125.64 12.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -0.69 41.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.18 46.94 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 10.75 10.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -95.05 175.97 2.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.06 -38.52 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 8' ' ' GLY . . . -45.8 -25.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 5' ' ' PRO . 59.9 m -52.75 -21.94 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 6' ' ' ALA . . . 45.19 -127.98 7.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -1.63 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 t60 -95.19 40.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.65 -6.18 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.246 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.82 161.68 76.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.7 10.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -19.42 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 6.7 m -69.05 -10.34 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.81 -127.16 8.76 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -81.27 -2.33 48.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.27 53.71 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 -6.02 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.408 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.78 164.05 64.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.87 8.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.13 -20.28 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 11.8 m -66.42 -12.34 56.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.81 -126.9 10.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -0.2 39.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 46.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.662 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.93 -11.28 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.84 162.65 72.65 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.01 -28.57 9.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.56 -24.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.9 m -55.72 -19.81 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.05 -125.09 26.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -0.21 39.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 0.8 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 30.48 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.84 11.75 22.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -94.98 162.64 24.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.45 -20.17 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' HIS . 11.1 m -66.73 -11.95 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 -126.7 9.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -2.35 48.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 22.0 t60 -95.25 55.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.22 87.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 108.318 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -109.46 -9.79 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.79 160.03 81.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.01 -25.83 11.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.42 -21.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 27.5 m -61.28 -16.0 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.73 -125.27 13.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 0.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.13 30.4 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -51.94 130.58 29.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.0 t . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 114.522 -1.217 . . . . 0.0 108.325 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.25 87.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 108.275 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -109.26 -9.65 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.75 159.91 82.07 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -74.98 -25.76 11.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.67 -21.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 25.8 m -61.79 -15.6 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.13 -125.94 13.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -81.21 0.04 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.26 30.33 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -50.11 133.85 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.308 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.24 87.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -109.03 -9.2 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.325 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.83 160.01 81.77 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.0 -25.79 11.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.42 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 5' ' ' PRO . 22.3 m -62.65 -14.98 49.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.17 -124.94 14.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.41 HH12 ' CE1' ' A' ' 10' ' ' HIS . 1.3 ptt85 -81.17 -0.38 40.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.41 ' CE1' HH12 ' A' ' 9' ' ' ARG . 0.6 OUTLIER -95.25 40.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -60.16 128.58 37.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.281 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 t -162.26 97.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.17 10.27 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.412 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -94.98 173.29 4.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.424 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.99 -36.9 2.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.0 -25.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.2 m -53.47 -21.43 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 108.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.72 -127.01 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -0.63 41.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.2 35.54 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.585 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.58 126.3 26.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.6 t . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.284 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.5 t -162.27 94.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 108.316 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.11 12.56 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.347 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -95.08 176.03 2.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -74.97 -38.27 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.53 -24.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' HIS . 59.5 m -56.04 -19.76 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.01 -127.95 9.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 0.99 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.05 41.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.12 125.99 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.289 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.23 89.75 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -113.15 -9.21 13.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 108.322 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 163.44 68.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.94 -29.02 8.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.99 -22.79 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 37.1 m -58.76 -17.67 25.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.47 -126.17 15.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -2.03 47.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -95.32 45.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.565 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.04 134.22 53.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.303 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.31 96.73 0.98 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.0 10.4 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 m-20 -95.05 170.96 7.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -34.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.55 -23.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.41 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.1 m -56.3 -19.52 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.12 -126.61 10.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -0.58 41.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.28 45.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.0 130.14 42.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.312 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.21 87.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -107.46 -8.24 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.317 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -74.8 158.94 84.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.5 12.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.49 -20.29 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 12.0 m -66.09 -12.46 55.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.49 -126.11 11.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.25 -1.94 46.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.25 49.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.638 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -63.29 136.81 57.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.296 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.29 95.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 108.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.28 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.09 10.52 10.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.07 169.01 10.05 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.04 -33.3 4.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.36 -23.23 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' N ' ' C ' ' A' ' 5' ' ' PRO . 38.7 m -58.08 -18.22 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.257 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.7 -125.97 12.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -0.93 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.24 46.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.94 126.36 28.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.28 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 t . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.309 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.26 87.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.331 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.15 10.2 17.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.05 165.26 17.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.05 -30.22 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.52 -22.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 5' ' ' PRO . 33.7 m -59.94 -16.98 34.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -125.7 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.138 . . . . 0.0 111.041 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -0.07 38.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -95.17 35.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.67 129.09 37.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.2 t . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.324 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.31 91.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.259 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -117.54 10.43 13.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.09 167.06 13.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.72 6.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.93 -22.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 m -59.09 -17.44 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.19 -125.53 12.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -81.23 -0.88 42.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -95.2 46.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.66 129.43 39.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . 0.433 ' CE1' ' HI1' ' A' ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.334 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.3 87.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.302 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.9 10.24 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.07 165.96 15.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.81 6.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.12 -22.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -59.29 -17.46 29.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.8 -125.79 12.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -0.91 42.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 40.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.594 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -60.03 129.9 44.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.302 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 t . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.241 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.29 94.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -120.37 10.56 11.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.04 168.99 10.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -33.22 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.42 -23.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 39.7 m -57.95 -18.34 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.5 -126.84 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.22 -1.6 45.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 0.804 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -95.18 46.75 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.61 129.22 38.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 t . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.292 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.2 87.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.37 10.19 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.97 165.61 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.36 7.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.34 -22.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.8 m -59.85 -16.98 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 108.272 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.16 -126.6 11.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CD ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.18 -0.92 42.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.349 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.22 36.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.58 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.77 130.14 39.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.6 t . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.306 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.21 91.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.256 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -117.0 10.84 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.05 167.23 13.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.82 5.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.458 1.768 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.05 -22.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 34.9 m -59.31 -17.38 28.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.03 -126.59 10.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -0.91 42.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -95.19 46.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.619 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.03 131.8 47.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.256 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 114.526 -1.216 . . . . 0.0 108.341 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.22 87.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 108.277 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.068 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -112.94 10.77 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.02 164.14 20.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.96 -29.05 8.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.78 -21.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' PRO . 23.7 m -62.71 -14.93 50.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.1 -125.64 12.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -0.69 41.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.18 46.94 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.0 128.69 36.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.068 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 t . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.296 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 t -162.3 96.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -121.13 10.75 10.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 m-20 -95.05 175.97 2.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.06 -38.52 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 8' ' ' GLY . . . -45.8 -25.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 5' ' ' PRO . 59.9 m -52.75 -21.94 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 6' ' ' ALA . . . 45.19 -127.98 7.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -1.63 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 t60 -95.19 40.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.15 126.73 28.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . 0.415 ' HI2' ' HE2' ' A' ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.342 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.08 95.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -112.65 -6.18 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.246 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.82 161.68 76.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.7 10.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -19.42 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' HIS . 6.7 m -69.05 -10.34 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.81 -127.16 8.76 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -81.27 -2.33 48.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -95.27 53.71 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.1 142.88 57.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.267 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 t -162.04 97.02 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.34 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -114.34 -6.02 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.408 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.78 164.05 64.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.87 8.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.13 -20.28 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 4' ' ' ASN . 11.8 m -66.42 -12.34 56.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.81 -126.9 10.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -0.2 39.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 46.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.662 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -65.99 134.95 54.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 114.528 -1.214 . . . . 0.0 108.302 -178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.26 87.37 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.93 -11.28 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -74.84 162.65 72.65 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.01 -28.57 9.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.56 -24.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 5' ' ' PRO . 55.9 m -55.72 -19.81 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.05 -125.09 26.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -0.21 39.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 0.8 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 30.48 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -54.16 123.75 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.324 -178.858 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.21 87.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -110.84 11.75 22.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.303 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -94.98 162.64 24.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.45 -20.17 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' HIS . 11.1 m -66.73 -11.95 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 -126.7 9.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -2.35 48.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 22.0 t60 -95.25 55.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.97 138.38 57.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 114.525 -1.216 . . . . 0.0 108.301 -178.845 . . . . . . . . 1 1 . 1 stop_ save_