data_1pcp_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 1pcp _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' LYS . . . . . . . . . . . . . 5.6 mttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 -84.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.498 ' CB ' ' HG3' ' A' ' 7' ' ' ARG . . . -159.41 -171.61 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.549 ' HB2' ' N ' ' A' ' 105' ' ' HIS . . . -98.52 -32.47 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m -72.06 -20.01 61.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.498 ' HG3' ' CB ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -81.05 -11.04 59.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.06 -70.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 108.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 p -50.85 -55.44 16.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 110.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.02 50.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 1.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -79.58 -101.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.544 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.2 t70 -151.29 146.6 19.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 1.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.06 78.36 2.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 1.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 91.03 108.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.544 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -116.65 -7.09 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 45.15 23.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' ' CG ' ' A' ' 44' ' ' PRO . 60.4 t -132.97 149.91 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 3.2 p30 -130.03 163.08 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -138.64 24.94 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 108.277 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.94 -139.23 3.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 1.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' HD11 ' A' ' 24' ' ' ILE . 53.5 p90 -144.4 161.27 45.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 1.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 112.17 3.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.533 1.807 . . . . 1.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.68 3.65 16.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 1.0 111.081 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.579 HD11 ' CE2' ' A' ' 21' ' ' PHE . 3.5 tt -58.34 175.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' SER . 23.4 p -119.0 -55.35 2.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 4.6 p 159.93 -74.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.4 t70 -41.44 -56.14 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -55.64 -26.71 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.1 t -84.43 -31.89 24.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 108.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 22.6 m-85 -85.36 -8.82 58.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ASP . 19.8 m -99.52 -10.61 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -95.85 12.97 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.59 7.92 85.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' PHE . 59.1 m -108.85 161.15 15.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.525 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -101.4 167.78 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 41.7 t80 -150.07 126.89 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.738 ' O ' ' HB3' ' A' ' 38' ' ' SER . 0.2 OUTLIER -121.96 -70.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 1.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.845 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 30.0 t 84.53 -31.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 110.059 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.636 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -30.42 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 110.301 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 38' ' ' SER . 39.0 t -93.43 108.32 32.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.06 136.25 20.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 1.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.08 -52.71 0.98 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 1.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.55 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -70.05 -179.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 1.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 117.24 4.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.432 1.754 . . . . 1.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.845 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 34.3 m0 -74.03 -49.13 25.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.419 ' SG ' HD12 ' A' ' 24' ' ' ILE . 1.8 m -89.46 118.82 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 108.258 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.525 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -140.24 -165.61 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 1.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -97.43 164.38 17.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.289 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -170.18 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.55 1.816 . . . . 1.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' O ' HG11 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -138.19 59.38 18.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.03 157.33 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.607 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -172.77 39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER 168.07 155.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.227 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.89 2.19 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 1.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -131.67 128.53 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 1.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.35 55.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' SD ' ' A' ' 99' ' ' MET . 10.1 pt-20 -125.51 -31.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 84' ' ' CYS . 81.6 m -84.46 -78.91 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 108.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.719 ' O ' ' HB3' ' A' ' 60' ' ' MET . 1.8 t 49.45 116.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.792 ' SD ' ' CD1' ' A' ' 96' ' ' PHE . 14.4 ptp 163.08 145.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.516 ' HG3' ' CD2' ' A' ' 50' ' ' LEU . 2.8 mt-30 -87.73 171.1 10.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.649 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 2.4 m -63.33 79.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 161.51 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.956 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -86.91 -7.94 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.544 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 18.3 mtt180 -80.32 8.63 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.686 ' HZ2' ' N ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER 35.95 -98.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.585 ' C ' ' HE2' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 160.72 82.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.686 ' N ' ' HZ2' ' A' ' 66' ' ' LYS . 41.8 t -77.57 -84.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.97 -155.23 0.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.738 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -122.47 158.46 56.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.764 . . . . 1.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 7.76 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 1.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 -13.43 13.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 1.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.642 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 3.3 tt -75.35 164.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -115.99 -176.55 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.963 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.664 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.93 174.38 12.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 1.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 0.2 OUTLIER 63.38 -58.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 75' ' ' PRO . 7.9 m-20 -63.74 -35.18 79.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.478 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 40.9 t -62.42 -70.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.102 . . . . 1.0 108.356 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.22 -12.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 77' ' ' ASP . . . -54.88 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.479 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.86 48.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 73' ' ' ILE . 10.6 m120 -134.33 -108.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 4.6 m -154.95 -168.24 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 108.252 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 4.0 m -47.06 157.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 75' ' ' PRO . 73.2 t80 -143.42 82.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.431 ' HB3' ' HE2' ' A' ' 96' ' ' PHE . 40.7 t -112.01 93.16 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.636 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -83.43 -6.63 59.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 87' ' ' ASP . 9.0 t -34.38 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -117.93 106.97 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.01 144.5 30.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.452 1.764 . . . . 1.0 111.017 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.615 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 92.78 25.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.325 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.485 ' CG1' HG23 ' A' ' 89' ' ' ILE . 1.1 m -147.8 169.03 9.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 65' ' ' ARG . 17.9 Cg_endo -75.08 100.58 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 1.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.636 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 37.6 m0 -68.89 -46.18 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.807 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 75.2 m -83.48 92.01 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.348 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.792 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 30.8 p90 -122.15 159.53 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.157 . . . . 1.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' ' CE ' ' A' ' 66' ' ' LYS . 22.5 m-85 -65.46 151.09 95.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.43 36.59 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.537 1.809 . . . . 1.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.49 ' HG2' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -40.98 -36.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 1.0 111.032 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.49 ' N ' ' HG2' ' A' ' 99' ' ' MET . 33.8 m 35.74 69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.607 1.192 . . . . 1.0 109.963 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -151.11 -98.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.7 mt-10 90.03 0.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -92.8 25.17 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 1.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.09 177.02 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.549 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 43.7 p-80 -163.08 -167.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 1.0 109.528 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.889 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 12.3 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.462 ' CE ' ' CE2' ' A' ' 106' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.549 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 -92.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.389 1.731 . . . . 1.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 1.016 ' HA ' ' OH ' ' A' ' 106' ' ' TYR . . . -174.75 143.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 1.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.786 ' N ' ' CZ ' ' A' ' 106' ' ' TYR . . . -61.01 -27.83 68.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 1.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.0 m -64.99 -13.13 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 108.204 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.483 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.32 14.29 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 110.259 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.666 ' O ' ' N ' ' A' ' 10' ' ' ARG . 5.2 m -134.15 -38.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 108.241 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.5 p -30.67 86.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 1.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 44.61 23.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 21.89 -91.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.593 1.183 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -119.13 152.89 52.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.4 Cg_endo -74.99 78.31 2.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 1.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 79.57 100.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CG ' ' CG ' ' A' ' 12' ' ' ASP . 3.7 m-20 -130.54 -3.34 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.379 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 64.25 8.61 4.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 1.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.1 t -63.89 167.71 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.565 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 2.9 p30 -172.75 130.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -140.17 28.17 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.23 -154.61 8.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.11 . . . . 1.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -126.74 163.31 41.86 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 1.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.61 10.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.377 1.725 . . . . 1.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.68 15.84 21.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.584 HD13 ' CE1' ' A' ' 21' ' ' PHE . 1.4 tt -71.71 -178.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 1.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CB ' ' A' ' 26' ' ' SER . 19.3 p -127.1 -48.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 1.0 110.433 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.1 p 151.07 -76.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.5 p-10 -41.08 -53.97 2.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -55.49 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.7 t -82.21 -39.24 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 1.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 106' ' ' TYR . 13.3 m-85 -76.19 -13.52 60.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 1.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.8 m -101.47 -11.02 19.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 1.0 110.362 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -94.74 20.39 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.92 44.55 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.8 m -110.25 165.21 11.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.583 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 24.9 m -104.94 162.88 12.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 1.0 108.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.615 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 36.7 t80 -150.63 113.21 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.553 ' OD1' ' HB2' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -102.45 -78.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 1.0 109.269 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.772 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER 88.15 -26.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 1.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.553 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 13.3 mt-30 -42.21 -21.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' SER . 97.9 t -106.06 101.9 36.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -75.04 129.1 12.0 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.16 -41.19 2.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.613 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -87.63 -175.43 0.58 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 1.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.613 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.1 123.7 8.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 1.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.772 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 33.3 m0 -82.17 -49.94 9.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 1.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.524 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.3 m -89.34 129.57 35.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 1.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.583 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.34 -167.89 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 110.965 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.571 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -94.01 165.33 18.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.226 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.503 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.02 153.99 42.09 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.525 1.803 . . . . 1.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -120.62 71.57 19.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 1.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -148.38 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 52' ' ' ALA . 3.1 mt-30 -35.34 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -54.17 -13.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 53' ' ' GLN . 68.2 m -93.65 90.12 6.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.047 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 tt0 -48.12 96.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 1.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.6 pt-20 165.33 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.5 m -80.13 -4.17 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 108.21 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.3 t -62.34 107.39 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.645 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 34.3 mtm -154.72 146.28 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -84.5 166.31 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.514 ' O ' ' CB ' ' A' ' 63' ' ' SER . 13.5 p -60.84 83.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.3 m 158.99 -25.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.505 ' HB2' ' CG ' ' A' ' 60' ' ' MET . . . -81.41 -19.21 43.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -52.04 175.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 110.269 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 4.1 mmtm -131.92 4.88 4.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 41.4 t30 61.95 87.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.256 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.671 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 3.0 t -128.53 -173.46 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 1.0 108.319 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.27 -173.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -129.35 167.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 1.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 66.8 6.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 1.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -178.62 -36.52 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 1.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.503 ' HB ' ' CE2' ' A' ' 70' ' ' TYR . 14.2 tt -48.54 159.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -105.75 -178.25 0.59 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.611 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.08 -66.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 1.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -63.36 -12.59 31.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' ARG . 61.0 m-20 -91.21 -45.7 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.49 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 48.0 t -52.35 -62.27 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 1.0 108.346 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.81 82.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -69.21 -7.53 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -104.57 -57.65 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.738 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 6.7 m-20 151.23 107.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.738 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 66.0 m 120.55 149.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 1.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.747 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 77.1 m -74.31 165.11 25.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.7 t80 -142.46 105.03 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 t -135.62 100.9 4.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.583 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -83.46 -0.73 51.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 87' ' ' ASP . 9.5 t -32.22 -37.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.519 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.2 mp -114.79 107.67 50.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.03 140.01 24.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 1.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.2 mt-10 90.86 31.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 1.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.564 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -153.76 177.73 1.87 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.07 97.49 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 1.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.583 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.2 m0 -64.75 -38.22 90.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.747 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.1 m -95.12 107.38 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 1.0 108.292 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 3.5 p90 -120.95 -171.21 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.671 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 47.8 m-85 -108.38 130.46 22.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.177 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.3 Cg_endo -75.02 109.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 1.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.632 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER 162.37 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 1.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 99' ' ' MET . 5.2 p 98.51 171.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.545 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -33.35 -95.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' A' ' 101' ' ' VAL . 18.5 mt-10 88.92 29.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.3 t0 -87.92 22.62 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -41.22 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.503 ' C ' ' HB3' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -150.9 178.01 9.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 1.0 109.573 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 1.016 ' OH ' ' HA ' ' A' ' 4' ' ' ALA . 39.2 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.577 ' HD3' ' CE1' ' A' ' 106' ' ' TYR . 1.9 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.497 ' O ' ' HD2' ' A' ' 7' ' ' ARG . 17.9 Cg_endo -75.13 28.29 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . 81.72 154.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 105' ' ' HIS . . . -106.65 -15.9 14.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.2 m -66.5 -16.26 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.54 ' HB2' ' CB ' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -111.55 29.95 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.2 m -148.25 -58.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 108.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 96.9 p -46.73 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.454 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -76.32 52.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 48' ' ' LYS . 58.8 tt0 -75.77 -86.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.135 . . . . 1.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 14' ' ' LYS . 6.7 t70 -150.43 146.19 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.98 32.54 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.4 mttt 163.8 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 1.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 1.3 m-80 -100.24 -11.96 19.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 17' ' ' VAL . 11.0 mtm105 43.63 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 16' ' ' ARG . 10.6 t -28.79 134.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -103.52 158.76 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.411 ' N ' ' HA ' ' A' ' 47' ' ' PHE . 3.9 t -131.61 56.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.3 -142.02 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 1.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.615 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.46 164.09 42.56 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 1.0 111.048 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.82 8.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 1.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.23 16.55 17.52 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.6 HD13 ' CE1' ' A' ' 21' ' ' PHE . 4.9 tt -75.18 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' SER . 7.8 p -131.53 -58.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 110.453 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER 177.08 -71.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.26 -60.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -56.47 -25.15 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 34' ' ' CYS . 2.6 t -94.0 1.24 56.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 1.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.87 ' CE1' ' HD1' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -137.97 32.63 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.5 m -137.26 -108.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 1.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.74 29.94 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -117.62 -93.65 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.556 1.16 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 29' ' ' CYS . 35.7 m -156.01 -156.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 10.4 m -89.61 165.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.613 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 25.8 t80 -150.69 80.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.9 t70 -98.04 96.89 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -93.28 38.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 1.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -77.81 -15.15 59.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG1' HG11 ' A' ' 43' ' ' VAL . 22.9 t -133.38 110.25 12.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.172 . . . . 1.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 5.01 4.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 1.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.62 4.11 27.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.484 1.115 . . . . 1.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.642 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.4 m -137.24 171.38 8.64 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.573 0.808 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.98 122.19 7.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.408 1.741 . . . . 1.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.606 ' CD2' ' HB3' ' A' ' 38' ' ' SER . 2.1 m0 -82.06 -41.44 20.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 107.975 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.486 ' SG ' HD11 ' A' ' 24' ' ' ILE . 22.8 m -85.75 108.56 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 1.0 108.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -149.47 -171.66 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 111.067 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -89.51 153.56 48.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 1.0 109.419 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.54 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.615 1.85 . . . . 1.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.598 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.7 pp -132.04 55.43 18.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 1.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.598 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 -176.98 3.16 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.532 1.806 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.646 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -175.8 87.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.646 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 150.75 172.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.63 8.61 5.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 1.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -144.84 166.38 25.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 1.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 58.6 mt-10 -111.8 104.2 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.254 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 175.74 -24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 110.29 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.523 ' O ' ' CE2' ' A' ' 96' ' ' PHE . 91.2 m -82.26 4.15 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 1.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.6 t -71.76 125.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.657 ' HE2' ' CD2' ' A' ' 96' ' ' PHE . 2.5 mtm -163.77 151.08 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.401 ' N ' ' HB1' ' A' ' 64' ' ' ALA . 4.7 mt-30 -71.38 167.42 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -62.58 -19.9 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -93.45 -15.03 26.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.485 ' O ' ' O ' ' A' ' 65' ' ' ARG . . . -75.6 -52.77 9.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.511 ' CD ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -40.37 165.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 110.314 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -150.85 43.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.561 ' O ' ' O ' ' A' ' 66' ' ' LYS . 5.0 p30 40.68 100.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 5.7 t -127.31 60.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.5 -164.89 33.73 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -119.16 159.05 46.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 1.0 110.984 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 60.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.792 . . . . 1.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -169.83 -36.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 78' ' ' CYS . 13.0 tt -40.01 160.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 1.0 109.276 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.519 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -107.7 179.16 0.92 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 1.0 109.96 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.98 -55.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 16.5 mt-10 -70.22 -17.85 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' ARG . 16.3 m-20 -87.59 -45.33 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 74' ' ' SER . 42.8 t -51.36 -62.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.405 1.065 . . . . 1.0 108.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.33 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -80.14 8.56 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 14.4 mmt180 -118.24 -51.55 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.746 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 15.3 m-20 143.0 110.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.39 1.056 . . . . 1.0 109.381 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.746 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 94.9 m 123.11 148.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 1.0 108.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.714 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 87.7 m -70.99 163.98 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 108.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 21.3 t80 -140.28 103.28 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 t -134.12 95.29 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.589 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -79.45 -4.06 49.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 87' ' ' ASP . 7.0 t -30.67 -38.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.1 mp -113.04 106.93 54.7 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.07 139.83 24.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 1.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.6 OUTLIER 90.86 32.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 1.0 110.337 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.556 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -153.31 175.43 3.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 96.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.589 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.9 m0 -62.77 -34.82 78.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.714 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 90.0 m -95.5 101.43 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 1.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.657 ' CD2' ' HE2' ' A' ' 60' ' ' MET . 5.0 p90 -115.76 -170.75 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 1.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.634 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 64.5 m-85 -104.24 130.95 22.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.2 Cg_endo -75.01 156.91 42.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 1.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 158.03 -169.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.52 174.28 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 1.0 109.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.7 OUTLIER -130.64 -98.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 12.8 tt0 91.0 20.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -117.42 -13.73 10.36 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.2 m -87.72 135.93 33.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 1.0 108.246 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 4.0 p80 -91.83 176.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.569 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.87 ' HD1' ' CE1' ' A' ' 30' ' ' PHE . 46.9 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 4' ' ' ALA . 3.1 mttt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.483 ' O ' ' CD ' ' A' ' 7' ' ' ARG . 18.5 Cg_endo -74.93 23.08 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 1.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . 76.37 139.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.607 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . . . -89.47 -5.83 56.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 83.2 m -76.09 2.14 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 1.0 108.299 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.499 ' HB2' ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -129.76 24.85 5.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.212 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -136.39 -46.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 1.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 p -95.28 -1.4 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 1.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -113.41 -16.14 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.305 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -61.53 -158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 2.4 t70 -85.02 145.51 43.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 1.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.99 81.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 93.07 104.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 1.0 109.378 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.24 -0.23 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.257 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 ttp-105 52.86 28.75 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 1.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 HG12 ' CE ' ' A' ' 48' ' ' LYS . 38.5 t -124.0 155.09 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 19' ' ' CYS . 20.7 t-20 -132.74 156.04 47.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 18' ' ' ASN . 8.3 t -140.08 67.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 1.0 108.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.16 -152.37 22.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.67 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -125.98 168.18 14.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 1.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -0.82 10.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.8 14.63 11.44 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.529 1.143 . . . . 1.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.585 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 17.6 tt -72.19 164.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 1.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' ' C ' ' A' ' 26' ' ' SER . 81.9 p -128.68 127.65 42.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 1.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.635 ' C ' ' O ' ' A' ' 25' ' ' THR . 4.2 p -16.14 -70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.044 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -38.85 -67.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 25' ' ' THR . 21.9 mm-40 -53.66 -28.96 36.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 1.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 34' ' ' CYS . 6.9 t -90.69 3.49 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.347 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -138.94 31.67 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 32' ' ' SER . 87.2 m -133.33 -109.78 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 31' ' ' THR . 18.9 m -96.33 31.81 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 1.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.13 -90.33 1.39 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.455 1.097 . . . . 1.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 29' ' ' CYS . 8.4 m -155.47 -155.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 m -95.23 162.47 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 108.359 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.648 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 17.6 t80 -144.1 79.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 22.9 t70 -99.15 93.01 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -82.7 -8.51 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.4 mt-30 -54.66 -14.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.56 93.42 19.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.4 Cg_endo -74.97 138.27 22.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 1.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.43 -29.82 11.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -102.45 175.69 2.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 0.723 . . . . 1.0 109.261 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.0 122.32 7.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.568 1.825 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 13.6 m0 -77.16 -44.47 30.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' SG ' ' CD1' ' A' ' 36' ' ' PHE . 62.8 m -88.74 103.91 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 1.0 108.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -135.22 -175.7 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -94.78 129.96 34.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.499 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -74.94 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 1.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.1 pp -136.8 60.23 28.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.09 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 1.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -142.76 -153.27 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.486 ' O ' ' O ' ' A' ' 52' ' ' ALA . 77.1 mm-40 -50.91 -169.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.254 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -48.34 -17.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.572 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -54.13 -162.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 110.076 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 59' ' ' VAL . 17.0 tt0 -153.12 -43.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.38 20.69 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.0 110.281 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.572 ' SG ' ' CB ' ' A' ' 55' ' ' SER . 55.7 m -87.56 -4.96 58.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 1.0 108.263 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.601 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.3 t -63.59 124.08 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.69 ' HE2' ' CD2' ' A' ' 96' ' ' PHE . 3.6 mtm -164.74 128.92 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' SER . 7.3 mt-30 -68.55 162.83 24.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 63' ' ' SER . 11.6 p -62.4 82.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 1.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 p 158.16 -24.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 60' ' ' MET . . . -83.08 -18.74 38.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -50.4 179.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.582 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tttm -131.21 -21.62 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 86.42 84.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 1.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.8 t -122.81 -168.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 108.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.68 -173.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 1.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -132.33 168.61 16.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 1.0 111.038 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 60.37 5.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 1.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.1 -39.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.451 1.095 . . . . 1.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 78' ' ' CYS . 13.3 tt -47.03 162.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 1.0 109.399 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -107.11 -178.75 0.62 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 1.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -75.03 -71.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.426 1.751 . . . . 1.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 35.2 mt-10 -59.83 -12.81 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.1 m-20 -90.04 -53.11 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.539 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 53.4 t -47.0 -57.26 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 1.0 108.26 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.38 19.57 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 77' ' ' ASP . 13.4 mmm180 -130.65 -47.03 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.679 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.9 p30 150.84 117.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 1.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.679 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 61.3 m 104.95 152.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 1.0 108.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.705 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.3 m -76.84 166.61 23.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 108.356 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.617 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 18.7 t80 -142.28 106.14 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.504 1.128 . . . . 1.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 t -137.31 88.84 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.0 110.049 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.598 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -73.57 -2.87 24.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 87' ' ' ASP . 6.8 t -32.39 -37.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.509 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.2 mp -114.37 108.92 49.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 1.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 144.31 29.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 1.0 110.979 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER 86.22 33.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.533 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -153.45 172.98 5.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 32.7 m0 -56.69 -35.09 68.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 1.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 63.4 m -93.41 98.86 11.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.69 ' CD2' ' HE2' ' A' ' 60' ' ' MET . 11.4 p90 -116.32 -169.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 31.9 m-85 -107.73 145.9 32.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.79 39.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 1.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.405 ' SD ' ' SD ' ' A' ' 60' ' ' MET . 20.6 ptm -145.84 163.19 35.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 1.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.8 79.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.559 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -52.79 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.559 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER 90.9 56.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 110.257 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -177.02 37.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 1.5 m -96.73 -69.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 104' ' ' CYS . 2.7 p80 51.04 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 1.0 109.542 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.645 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 53.5 m-85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 1.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.624 ' HB3' ' OH ' ' A' ' 106' ' ' TYR . 2.8 mttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.449 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.96 -55.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 1.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 7' ' ' ARG . . . 167.4 112.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.228 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 104' ' ' CYS . . . -56.27 -12.95 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 104' ' ' CYS . 1.7 m -61.37 -54.6 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 108.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -84.93 42.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 1.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 2.8 m -146.28 -46.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.476 ' OG ' ' C ' ' A' ' 104' ' ' CYS . 28.7 p -105.9 65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' GLN . 2.6 tpp180 177.54 -31.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.354 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.672 ' O ' ' O ' ' A' ' 10' ' ' ARG . 13.8 tt0 -29.92 -105.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.565 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 4.3 t70 -153.81 145.91 17.09 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.76 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.01 49.58 2.3 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.481 1.779 . . . . 1.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.76 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 14.8 ttpp 132.21 99.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 1.0 109.339 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.649 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -137.3 1.39 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 48.82 61.89 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 1.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.649 ' CG2' ' HB3' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -128.82 42.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 109.232 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 44' ' ' PRO . 64.6 t30 -56.7 144.35 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 40.7 t -141.23 15.47 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 108.232 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . -152.77 -150.31 5.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.115 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.613 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -129.2 162.44 52.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 1.0 110.908 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.17 9.22 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 1.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.56 10.51 28.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.404 1.065 . . . . 1.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 21' ' ' PHE . 1.9 tt -67.96 -176.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 1.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 33.5 p -137.16 28.57 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 110.474 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.611 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . 24.4 p 65.82 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.492 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -41.85 -66.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -49.7 -22.26 1.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -86.88 -34.71 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 4.7 m-85 -82.25 33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 32' ' ' SER . 86.6 m -75.64 18.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 1.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 80.16 0.27 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.86 -53.5 1.03 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 1.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' CYS . 47.5 m -121.25 168.63 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.3 m -116.45 164.93 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 26' ' ' SER . 17.9 t80 -150.62 120.84 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 1.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.637 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -122.08 -75.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.641 ' HB3' ' CD2' ' A' ' 45' ' ' TRP . 4.0 m 97.73 52.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -85.79 -16.39 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.49 ' O ' ' NE1' ' A' ' 45' ' ' TRP . 29.1 t -125.39 116.34 25.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.12 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 1.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.59 -53.59 0.6 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 1.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.725 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.1 m -67.4 176.79 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.725 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.99 117.6 4.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.441 1.758 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.641 ' CD2' ' HB3' ' A' ' 38' ' ' SER . 36.9 m0 -78.38 -31.25 48.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 108.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.4 m -87.46 108.77 19.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 108.383 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -131.44 -162.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.601 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -91.42 150.56 41.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.702 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 57.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 1.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.702 ' C ' ' O ' ' A' ' 49' ' ' PRO . 6.9 tt -7.61 77.04 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.688 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 1.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 173.74 124.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 85' ' ' PHE . 7.6 mm100 65.35 160.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.86 -3.26 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -94.45 173.25 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 1.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE2' ' NH1' ' A' ' 7' ' ' ARG . 3.0 mt-10 -121.28 4.49 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.12 -17.99 11.78 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.457 1.098 . . . . 1.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 37.8 m -83.94 5.75 24.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 1.0 108.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG12 ' HD2' ' A' ' 7' ' ' ARG . 1.4 t -75.19 121.44 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.704 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 3.1 ptp 177.75 156.74 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 1.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 8.2 mp0 -83.73 165.46 18.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 40.7 t -49.77 -22.79 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' GLN . 32.6 t -98.12 51.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.511 ' HB2' ' CG ' ' A' ' 60' ' ' MET . . . -148.91 -51.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.546 ' HG3' ' CG ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -38.82 159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 1.0 110.347 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -122.53 39.39 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 1.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.487 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 5.2 p-10 36.14 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 2.7 t -118.78 -179.92 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.175 . . . . 1.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.13 -166.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.423 1.077 . . . . 1.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.6 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -129.75 166.7 24.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 1.0 111.066 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.7 7.42 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.458 1.767 . . . . 1.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.7 -9.82 34.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 1.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.567 ' HB ' ' CE2' ' A' ' 70' ' ' TYR . 8.1 tt -80.03 162.35 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.744 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.72 -179.96 0.86 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 1.0 109.972 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.97 -74.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 1.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 11.8 mt-10 -56.53 -14.56 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 81' ' ' ARG . 4.1 m-20 -89.12 -51.17 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 50.4 t -46.5 -57.5 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 1.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.38 97.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.4 20.11 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.248 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 77' ' ' ASP . 40.3 mmt-85 -131.79 -48.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.692 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.7 p30 150.4 114.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.692 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.0 m 108.13 148.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 1.0 108.367 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.695 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 88.0 m -72.86 170.48 14.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 1.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.8 t80 -143.57 106.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.5 t -134.07 86.36 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.642 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -75.4 0.28 17.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 87' ' ' ASP . 7.6 t -30.22 -38.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 1.0 110.37 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.1 mp -121.16 133.67 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.95 149.06 36.38 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.469 1.773 . . . . 1.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.6 mt-10 87.61 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' A' ' 91' ' ' GLU . 14.7 m -38.93 162.68 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 67' ' ' ASN . 18.4 Cg_endo -74.95 90.38 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.558 1.82 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.642 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -48.81 -42.12 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 1.0 108.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.695 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.8 m -94.2 113.65 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.704 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 4.1 p90 -127.87 -170.65 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.633 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 93.4 m-85 -105.18 129.76 24.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.02 107.57 2.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.47 1.774 . . . . 1.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 ptm 169.98 -172.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.12 114.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.056 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' ASP . 0.7 OUTLIER -161.17 -104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.26 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 38.77 29.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.247 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' ' CZ ' ' A' ' 10' ' ' ARG . 1.6 p-10 -169.53 31.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 1.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.596 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 89.1 m -98.46 -25.34 14.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 104' ' ' CYS . 0.6 OUTLIER -30.97 148.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 1.0 109.618 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.731 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 56.1 m-85 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 1.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 4' ' ' ALA . 10.3 mttt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.474 ' O ' ' HD2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.07 30.56 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . 78.77 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 1.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.728 ' HB1' ' CZ ' ' A' ' 106' ' ' TYR . . . -97.79 -5.96 33.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 74.4 m -77.83 -4.11 44.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 108.322 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.512 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -121.29 30.96 6.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 110.326 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 1.5 m -138.68 -51.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' A' ' 105' ' ' HIS . 77.1 p -90.57 -2.31 57.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 110.003 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -109.87 -3.36 16.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 110.255 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.621 ' OE1' ' CD1' ' A' ' 47' ' ' PHE . 4.1 mt-30 -60.74 -134.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 2.7 t70 -126.63 146.69 57.82 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 1.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.631 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.03 81.6 2.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.599 1.842 . . . . 1.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.631 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 98.59 100.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -137.64 -45.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER 88.57 -157.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 18' ' ' ASN . 8.8 t 74.11 42.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 17' ' ' VAL . 4.4 t-20 -31.02 143.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 3.3 t -128.33 44.1 3.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 1.0 108.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.27 -124.41 0.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 1.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HG13 ' A' ' 24' ' ' ILE . 53.0 p90 -174.73 162.99 2.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 1.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 108.59 2.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.58 -1.06 11.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 1.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' CE1' ' A' ' 21' ' ' PHE . 6.3 tt -53.76 165.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.771 ' O ' ' N ' ' A' ' 27' ' ' ASP . 8.7 p -135.99 68.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.778 ' O ' ' N ' ' A' ' 29' ' ' CYS . 91.4 p 41.23 -78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.034 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 25' ' ' THR . 11.2 t0 -29.69 -70.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.37 -26.35 12.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 1.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.778 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.7 t -96.25 4.94 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.605 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -138.6 30.34 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.8 m -129.62 -108.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 1.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 p -94.76 31.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.03 -96.5 1.71 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.464 1.103 . . . . 1.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.596 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.3 m -151.83 -156.47 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.83 166.81 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.398 1.061 . . . . 1.0 108.231 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.605 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 29.9 t80 -149.37 80.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 23.5 t70 -99.6 98.17 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.687 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 29.8 t -89.97 -8.26 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 1.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.532 ' NE2' ' NE2' ' A' ' 105' ' ' HIS . 3.5 mt-30 -49.53 -17.07 0.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 38' ' ' SER . 85.0 t -110.09 99.76 40.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 139.36 24.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 1.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.45 -34.25 5.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 1.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -95.98 171.49 6.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 1.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 Cg_endo -74.97 120.19 5.97 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.527 1.804 . . . . 1.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.687 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 12.8 m0 -73.97 -44.17 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 49.7 m -86.94 112.53 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.621 ' CD1' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -146.97 -177.44 5.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 1.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -85.75 133.98 40.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.499 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.5 Cg_endo -74.96 -175.58 2.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 1.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 6.8 mt -135.16 60.85 42.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 -170.37 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.483 1.78 . . . . 1.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.524 ' O ' ' C ' ' A' ' 53' ' ' GLN . . . -171.83 -160.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 109.353 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 55' ' ' SER . 25.7 mm100 -28.99 147.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.39 61.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.628 ' N ' ' O ' ' A' ' 53' ' ' GLN . 66.8 m -163.29 107.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 1.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 1.4 tm-20 -58.46 96.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 1.5 pt-20 172.33 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 1.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.597 ' O ' ' C ' ' A' ' 59' ' ' VAL . 62.6 m -80.59 -37.41 31.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 108.26 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 58' ' ' CYS . 1.1 t -23.95 123.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.744 ' HE1' ' CE2' ' A' ' 96' ' ' PHE . 5.7 ptp 179.65 167.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 4.9 mt-30 -85.57 166.23 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -65.15 -9.57 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -109.76 -1.41 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -83.96 -21.74 31.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 1.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' HG2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -74.06 163.53 27.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HG2' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -143.98 14.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 4.0 t-20 59.8 125.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.03 -43.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 108.247 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.72 -152.58 27.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 1.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -130.76 169.46 13.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 1.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.02 6.3 3.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 1.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.08 -34.62 4.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.576 1.172 . . . . 1.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 78' ' ' CYS . 13.4 tt -54.71 163.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.561 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -103.57 -178.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 1.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.98 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -71.15 -35.85 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 110.259 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 81' ' ' ARG . 84.0 m-20 -65.31 -49.14 70.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 1.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.505 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 52.2 t -53.27 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.8 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.274 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -76.89 -0.72 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.7 mmt-85 -101.84 -52.33 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 110.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.745 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER 148.66 113.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 1.0 109.274 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.745 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.2 m 118.23 164.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 108.394 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.739 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 84.5 m -82.21 163.1 22.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 108.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.656 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 34.6 t80 -142.94 94.45 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -124.43 94.91 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.602 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.0 p-10 -84.08 -4.07 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 89' ' ' ILE . 9.2 t -32.17 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -116.13 106.51 49.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.646 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 141.56 26.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.646 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 95.64 25.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.502 ' CG1' HG23 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -149.29 172.97 4.61 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 1.0 109.374 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HG2' ' CG ' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -74.94 101.29 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.522 1.801 . . . . 1.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.602 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -70.73 -40.84 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.652 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 87.9 m -88.56 94.42 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 108.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.744 ' CE2' ' HE1' ' A' ' 60' ' ' MET . 25.7 p90 -119.24 166.92 12.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 68' ' ' CYS . 6.7 m-85 -81.85 143.03 49.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 1.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 106.66 2.32 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.56 1.821 . . . . 1.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.2 mmt -63.88 -94.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.27 -178.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.406 ' CG1' ' SG ' ' A' ' 6' ' ' CYS . 3.1 m -137.38 -111.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 1.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 51.75 40.37 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 1.0 110.311 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -169.6 29.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' ALA . 1.2 m -102.49 156.5 17.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 108.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 1.4 p-80 -164.05 161.3 22.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 1.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.728 ' CZ ' ' HB1' ' A' ' 5' ' ' ALA . 16.7 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 1.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.493 ' HB1' ' NH1' ' A' ' 7' ' ' ARG . . . -70.52 -144.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.482 ' HB2' ' C ' ' A' ' 104' ' ' CYS . . . -122.07 -37.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 m -68.18 -10.37 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 1.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.493 ' NH1' ' HB1' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -86.23 7.2 26.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 10' ' ' ARG . 1.6 m -136.18 -56.93 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 1.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' OG ' ' A' ' 9' ' ' SER . 5.9 p -51.58 86.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 1.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 72.89 26.14 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.256 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.614 ' NE2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -29.25 -65.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 2.9 t70 -118.17 146.29 38.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.05 61.84 5.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.443 1.759 . . . . 1.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 83.83 101.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.444 ' CG ' ' CG ' ' A' ' 12' ' ' ASP . 5.2 m-20 -114.07 -26.89 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.1 7.03 5.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 1.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.43 142.78 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 20' ' ' GLY . 4.1 t-20 -122.31 149.97 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 t -130.39 47.22 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . 174.07 -144.8 7.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.62 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -134.84 162.41 57.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 1.0 111.006 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.73 8.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.19 10.13 24.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.107 . . . . 1.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 ' CE1' ' A' ' 21' ' ' PHE . 5.4 tt -68.2 171.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASP . 16.1 p -128.82 35.09 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.633 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 24.7 p 65.36 -70.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 1.0 109.94 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 26' ' ' SER . 13.6 m-20 -39.83 -69.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -45.41 -25.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 110.265 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -84.83 -45.08 12.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 1.0 108.328 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.646 ' HE2' ' CZ ' ' A' ' 106' ' ' TYR . 4.8 m-85 -69.45 -8.15 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.01 -9.66 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -99.43 15.75 25.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.56 6.91 72.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 1.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' CYS . 38.0 m -112.39 159.54 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -98.14 175.33 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.694 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 17.9 t80 -150.89 83.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 1.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 9.1 t70 -101.77 89.99 3.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.597 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -77.65 -11.8 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 7.2 mt-30 -49.26 -18.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.478 ' CG1' HG21 ' A' ' 43' ' ' VAL . 59.6 t -113.56 90.45 17.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -74.98 3.46 5.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 1.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -106.2 3.18 37.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.573 1.171 . . . . 1.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.642 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.3 m -146.5 -176.33 0.54 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 120.84 6.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 1.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.597 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 4.5 m0 -67.65 -52.93 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 107.977 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.5 m -89.25 113.16 24.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CD1' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -141.58 -170.4 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -99.64 126.7 36.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.523 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 -171.72 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.512 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -129.85 59.68 46.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 154.59 42.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -147.49 -174.0 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 1.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 55' ' ' SER . 3.7 mt-30 -37.3 158.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.88 59.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 1.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' GLN . 19.0 m -129.24 62.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 98.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 5.2 pt-20 -178.75 -35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.799 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.8 m -82.5 -104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.799 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER 34.93 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.735 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.6 ptp 178.49 153.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -64.28 166.69 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 1.0 110.358 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 92' ' ' VAL . 33.1 t -58.48 -35.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.16 16.19 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -115.67 -10.36 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -91.2 12.07 21.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 1.0 110.239 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ARG . 1.2 mttt 28.55 -107.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -178.61 89.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 1.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.605 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 26.3 t -97.46 -80.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 108.331 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -47.88 179.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.629 ' CE1' ' HB ' ' A' ' 73' ' ' ILE . 14.7 p90 -120.74 169.31 9.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 1.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -74.95 79.3 2.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 1.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.554 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 167.24 -28.19 0.17 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 1.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.629 ' HB ' ' CE1' ' A' ' 70' ' ' TYR . 14.3 tt -59.72 160.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 0.749 . . . . 1.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.604 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -111.52 -176.65 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 74' ' ' SER . 18.4 Cg_endo -74.93 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.56 1.821 . . . . 1.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 3.3 mt-10 -61.09 -11.11 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 1.0 110.217 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.535 ' HB3' ' CD ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.0 -54.67 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 1.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 74' ' ' SER . 4.3 t -43.0 -56.14 3.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.082 . . . . 1.0 108.327 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -90.36 25.35 2.26 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -147.61 -50.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.713 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.5 p30 146.91 118.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 1.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.713 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.6 m 110.28 147.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 108.373 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.823 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 5.5 m -78.79 169.94 17.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 1.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CG ' ' HA ' ' A' ' 75' ' ' PRO . 10.5 t80 -145.33 101.6 3.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.3 t -131.81 87.46 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.598 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -76.07 -2.41 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 87' ' ' ASP . 8.4 t -32.17 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.527 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.2 mp -115.3 107.82 48.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 1.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.6 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.99 137.69 22.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.774 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 1.6 pt-20 93.42 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 1.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.1 m -153.72 178.01 1.76 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -75.02 95.6 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 1.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.0 m0 -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 1.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.823 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 18.3 m -99.16 127.59 45.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.735 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 1.0 OUTLIER -134.52 -166.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.605 ' CD1' ' SG ' ' A' ' 68' ' ' CYS . 41.3 m-85 -103.22 113.49 65.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 1.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.6 Cg_endo -74.95 107.08 2.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 162.09 -176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 110.947 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 p 67.51 110.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 102' ' ' GLU . 5.8 m -156.39 -117.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 101' ' ' VAL . 22.6 tt0 33.49 80.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 20.9 p-10 169.01 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.482 ' C ' ' HB2' ' A' ' 5' ' ' ALA . 10.2 m -73.85 142.61 46.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.307 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.408 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 11.7 p-80 -166.7 -148.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.655 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.646 ' CZ ' ' HE2' ' A' ' 30' ' ' PHE . 10.4 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 1.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.687 ' NZ ' ' CE2' ' A' ' 106' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.515 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.3 Cg_endo -75.04 -61.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.436 1.756 . . . . 1.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.532 ' CA ' ' HH ' ' A' ' 106' ' ' TYR . . . 162.36 110.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 109.232 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.658 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . . . -53.38 -22.95 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.447 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 58.0 m -53.25 -56.98 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 1.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.613 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -89.37 44.19 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 33.6 m -149.82 -46.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -83.14 44.28 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 61' ' ' GLN . 5.8 ttt180 177.12 28.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.701 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -51.57 -88.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 110.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.567 ' CB ' ' ND2' ' A' ' 15' ' ' ASN . 6.3 t0 -153.69 144.72 16.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.5 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.628 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.5 mtpp 153.86 104.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.567 ' ND2' ' CB ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -128.84 -39.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.44 0.58 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG13 ' NZ ' ' A' ' 48' ' ' LYS . 3.5 t -103.62 138.6 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.494 ' CA ' ' O ' ' A' ' 46' ' ' CYS . 2.5 p30 -138.93 156.96 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 1.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.532 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 35.8 t -118.93 38.96 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 1.0 108.283 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.47 -147.22 6.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 1.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -130.07 162.75 52.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.806 . . . . 1.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 1.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.87 8.1 23.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.576 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 4.5 tt -62.69 169.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.1 p -118.18 25.53 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 110.46 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.692 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 21.7 p 66.34 -69.0 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' OG ' ' A' ' 26' ' ' SER . 26.2 m-20 -41.33 -66.34 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -48.31 -23.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -84.68 -38.61 19.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.0 108.376 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 7.8 m-85 -71.8 -17.46 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.96 -5.69 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 1.0 110.347 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -96.4 20.9 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.069 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.54 6.11 53.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m -115.09 177.79 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -118.32 172.11 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 108.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CB ' ' A' ' 26' ' ' SER . 19.4 t80 -147.67 98.05 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 1.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 14.4 t70 -120.18 92.32 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.698 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 48.1 t -84.68 -6.33 59.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 1.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -49.6 -17.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.0 110.231 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' A' ' 43' ' ' VAL . 73.7 t -112.7 95.63 33.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.209 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 138.58 23.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 1.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.05 59.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 1.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -128.25 177.33 2.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 1.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 16.3 m0 -77.44 -49.49 14.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.031 -1.1 . . . . 1.0 108.031 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 1.7 m -89.07 115.2 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 1.0 108.281 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.701 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -136.68 -166.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.666 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.62 117.28 51.1 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.459 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.0 Cg_endo -75.09 -177.59 3.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.483 1.78 . . . . 1.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.594 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -125.61 69.56 63.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 1.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.03 141.0 26.02 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 1.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -119.26 -177.0 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' ALA . 8.5 mt-30 -39.6 164.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 1.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -59.94 -6.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 53' ' ' GLN . 35.4 m -53.41 -38.17 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 1.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 45.27 52.03 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 1.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.33 -32.14 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 1.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 59' ' ' VAL . 88.3 m -83.64 -94.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.63 ' O ' ' O ' ' A' ' 58' ' ' CYS . 1.0 OUTLIER 51.54 121.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.653 ' HE2' ' CD2' ' A' ' 96' ' ' PHE . 1.1 mtm 158.18 138.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.594 ' OE1' ' CD2' ' A' ' 50' ' ' LEU . 6.4 mm-40 -85.81 166.84 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 1.0 110.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.503 ' CG1' HG22 ' A' ' 89' ' ' ILE . 20.6 m -56.89 -16.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.67 10.57 40.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 1.0 110.029 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' CB ' ' HG2' ' A' ' 60' ' ' MET . . . -114.09 -29.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.79 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -156.23 -68.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.5 t-20 149.93 108.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 2.3 t -122.21 -75.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 108.315 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -57.46 -170.27 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 1.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD1' ' HB ' ' A' ' 73' ' ' ILE . 6.8 p90 -124.06 165.54 23.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 1.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 86.16 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 1.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.496 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 157.42 -23.81 0.44 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 70' ' ' TYR . 5.1 tt -54.21 175.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.754 . . . . 1.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -122.21 179.91 0.9 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.95 -57.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 1.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -76.07 -12.38 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 1.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -90.29 -48.35 7.2 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.489 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 54.1 t -52.43 -62.04 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.02 76.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 1.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -80.5 8.42 7.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.642 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.4 mmm180 -114.33 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 1.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.735 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER 144.13 113.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.735 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.1 m 117.19 153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.656 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 30.8 m -72.05 164.03 26.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 1.0 108.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 36.7 t80 -141.15 99.35 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.3 t -121.4 94.88 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 110.03 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.65 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.1 p-10 -90.26 -4.12 57.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 89' ' ' ILE . 9.0 t -33.92 -34.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 1.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.512 HG23 ' CG1' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -119.48 111.36 36.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.93 138.65 23.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.418 1.747 . . . . 1.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.1 mt-10 93.93 34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.567 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 2.1 m -152.95 172.24 5.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.567 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.97 89.72 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 1.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 38.1 m0 -59.86 -38.62 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 1.0 108.021 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.656 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 88.1 m -93.8 103.31 15.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.653 ' CD2' ' HE2' ' A' ' 60' ' ' MET . 7.8 p90 -121.01 -170.63 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 74.9 m-85 -95.94 158.1 34.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 1.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' MET . 18.4 Cg_endo -74.99 -9.6 20.86 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.479 1.779 . . . . 1.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PRO . 0.2 OUTLIER 37.31 -150.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 101' ' ' VAL . 7.0 t -142.29 177.17 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 102' ' ' GLU . 5.0 m -111.74 -116.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 17.4 pt-20 33.98 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 1.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER 153.95 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 6.3 m -55.81 -80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 104' ' ' CYS . 2.4 p80 54.52 154.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.687 ' CE2' ' NZ ' ' A' ' 2' ' ' LYS . 99.1 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' OH ' ' A' ' 106' ' ' TYR . 2.2 tmtm? . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.4 Cg_endo -74.99 -154.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' ' HE1' ' A' ' 106' ' ' TYR . . . -97.65 -137.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.379 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.697 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . . . -133.95 -44.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -47.89 -34.93 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 108.362 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.568 ' NE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -87.01 27.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 110.35 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.9 m -149.79 -50.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 p -88.72 22.24 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 1.0 110.063 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -157.59 24.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 1.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.517 ' OE1' ' CG ' ' A' ' 47' ' ' PHE . 4.5 mt-30 -60.81 -141.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.537 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 3.5 t70 -99.06 147.01 32.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -75.01 68.12 5.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mttt 80.39 101.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.3 m-20 -123.36 -26.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 89.57 27.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.0 110.315 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG2' ' HB3' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -103.22 133.89 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 5.9 p30 -129.36 147.87 51.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -139.57 43.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.41 -141.67 3.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 24' ' ' ILE . 54.3 p90 -137.85 159.65 67.87 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.52 2.94 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 1.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.9 3.66 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.075 . . . . 1.0 111.036 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.556 HD13 ' CE2' ' A' ' 21' ' ' PHE . 10.0 tt -61.8 166.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 1.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.613 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 11.6 p -107.3 -52.92 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 1.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 2.8 p 156.12 -67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.37 -56.16 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -54.38 -25.97 27.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -83.78 -31.94 25.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 3.4 m-85 -81.1 -10.41 59.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -104.2 -9.99 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.73 7.88 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 1.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.9 14.79 80.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 1.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 73.3 m -115.25 -177.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -120.2 174.82 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 1.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 25' ' ' THR . 2.5 t80 -150.46 136.06 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.669 ' OD2' ' HB2' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -129.06 -77.44 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.813 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 32.9 t 79.34 -18.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 1.0 109.962 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.669 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 7.1 mt-30 -44.17 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 1.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.476 ' CG1' HG23 ' A' ' 43' ' ' VAL . 71.5 t -116.07 125.74 28.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.32 32.75 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 1.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 81.77 -68.28 3.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 1.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.559 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 2.6 m -45.04 169.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.04 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.591 1.837 . . . . 1.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.813 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 27.2 m0 -68.55 -50.24 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 1.7 m -89.61 129.33 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 1.0 108.276 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CG ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -147.32 -166.98 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -108.99 139.42 20.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.241 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.666 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.97 173.64 14.15 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 1.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.506 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 pp -122.29 59.94 12.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.1 Cg_endo -75.04 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.455 1.766 . . . . 1.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.37 131.07 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 63.45 166.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 110.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -4.73 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.64 161.21 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 95.2 mt-10 -133.23 101.73 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 3.7 pt-20 170.04 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.4 m -81.72 3.95 23.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.538 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 1.7 t -75.53 131.25 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.714 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 6.4 ptp 176.29 156.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 1.2 mt-30 -79.84 166.5 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' NH1' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.08 -19.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 1.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -100.66 48.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.537 ' O ' ' O ' ' A' ' 65' ' ' ARG . . . -148.62 -38.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 64' ' ' ALA . 5.3 ptt180 -48.27 -172.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 1.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 11.3 mtpp -143.57 -91.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 2.4 m-80 156.67 89.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 25.1 t -110.24 -94.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . -38.86 168.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.554 1.159 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -110.1 172.99 3.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 1.0 111.007 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.5 Cg_endo -74.98 49.01 2.13 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.454 1.765 . . . . 1.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.25 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 78' ' ' CYS . 13.2 tt -44.97 161.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 0.765 . . . . 1.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -105.65 -177.34 0.49 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.635 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.03 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 3.1 mt-10 -61.1 -12.28 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 1.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.724 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -89.7 -53.09 4.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 1.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.572 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 43.3 t -48.09 -59.74 3.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.33 83.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 1.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -84.77 9.57 13.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 1.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -114.84 -45.9 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.711 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 7.9 p30 147.69 114.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 84.4 m 108.97 157.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.776 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 73.4 m -78.56 162.06 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 32.6 t80 -139.76 100.7 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 88' ' ' THR . 41.0 t -128.34 85.0 2.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 1.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.75 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 6.1 p-10 -70.43 -13.35 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.378 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.48 ' CG2' ' OG ' ' A' ' 86' ' ' SER . 8.8 t -34.97 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.491 HG23 ' CG1' ' A' ' 62' ' ' VAL . 3.4 mm -108.21 99.66 32.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.722 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.92 126.36 9.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 1.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.722 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 6.5 pt-20 109.68 15.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 4.4 m -137.57 167.63 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 1.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.75 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 23.7 m0 -48.04 -37.76 15.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 107.988 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.776 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 99.0 m -91.23 88.37 6.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.383 1.052 . . . . 1.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.714 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 9.0 p90 -112.29 173.64 6.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 1.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 68' ' ' CYS . 72.1 m-85 -96.38 123.24 55.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 1.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.484 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.03 107.9 2.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 1.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.55 ' O ' ' CB ' ' A' ' 100' ' ' SER . 1.4 tmt? 171.76 144.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.2 m 155.6 158.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 1.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -30.44 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.1 pt-20 93.55 23.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.368 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' CYS . 7.6 m-20 -61.57 -4.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.47 ' H ' ' C ' ' A' ' 102' ' ' GLU . 2.9 m -37.95 141.29 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 108.264 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.619 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 4.9 p-80 -139.4 -147.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.697 ' CE1' ' HB3' ' A' ' 5' ' ' ALA . 8.4 m-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 8.9 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.05 -40.85 0.76 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 1.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.607 ' O ' ' CB ' ' A' ' 5' ' ' ALA . . . 159.74 -34.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.849 ' HA ' ' CE1' ' A' ' 106' ' ' TYR . . . 92.27 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 1.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 96.0 m -61.11 -15.55 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' CG ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -114.7 39.64 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.931 ' HB2' ' HE1' ' A' ' 106' ' ' TYR . 4.2 m -150.27 -61.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 104' ' ' CYS . 86.1 p -66.49 -26.98 67.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 1.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -104.14 20.9 17.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 12.0 mm-40 -58.3 -108.29 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.493 1.12 . . . . 1.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 14' ' ' LYS . 9.5 t70 -152.28 145.92 17.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 1.0 109.381 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.6 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.483 1.78 . . . . 1.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.6 mttm 158.22 87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 4.4 m-20 -132.1 2.93 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 11.3 ptp180 43.48 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.52 ' CG1' ' NZ ' ' A' ' 48' ' ' LYS . 4.8 t 85.29 132.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 1.0 109.346 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 15.3 p-10 -131.78 147.77 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.557 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 41.3 t -138.66 61.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.22 -135.41 1.92 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.466 1.104 . . . . 1.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.576 ' CE1' HD11 ' A' ' 24' ' ' ILE . 51.7 p90 -154.05 162.07 27.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 1.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 107.49 2.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.428 1.751 . . . . 1.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.5 5.11 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 1.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 21' ' ' PHE . 5.9 tt -59.19 170.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.9 p -114.74 -55.28 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p 158.5 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' O ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -42.43 -58.58 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -52.86 -27.66 19.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 1.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.7 t -84.68 -30.22 24.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.868 ' CZ ' ' CD2' ' A' ' 106' ' ' TYR . 24.0 m-85 -89.09 0.18 56.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.407 1.067 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 12.2 m -106.18 -12.11 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -98.45 13.89 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.24 0.96 79.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -94.91 176.38 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 20.8 m -117.21 172.71 7.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 30.4 t80 -151.76 85.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.1 t70 -108.78 97.0 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.612 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 2.2 m -90.64 18.25 6.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.968 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.02 -14.72 17.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 43' ' ' VAL . 54.1 t -125.79 128.05 24.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.34 37.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 1.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 77.84 -69.12 2.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.443 1.089 . . . . 1.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.462 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m -42.39 164.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -75.01 117.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 1.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.612 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 15.4 m0 -78.31 -44.72 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 1.7 m -88.43 111.82 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -142.14 -157.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.705 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.15 137.72 23.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 1.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.1 Cg_endo -75.04 -173.09 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 1.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' H ' ' HB3' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -132.21 64.52 72.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.02 143.58 29.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 1.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.459 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . 176.17 47.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 12.3 mt-30 -161.14 140.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.13 52.08 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 m -165.57 -161.79 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -155.54 66.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 1.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -177.19 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 1.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.6 m -83.8 5.55 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 108.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG12 ' CG ' ' A' ' 7' ' ' ARG . 1.9 t -86.7 134.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.799 ' HE1' ' CD2' ' A' ' 96' ' ' PHE . 3.7 ptt? 179.25 179.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -78.33 149.66 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.595 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -43.01 -58.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 p -49.56 -31.23 10.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' GLN . . . -67.68 -9.4 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.595 ' CD ' ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -70.56 172.34 8.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 110.334 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -172.02 103.2 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 1.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 14.9 p-10 -37.63 120.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 97' ' ' PHE . 42.4 t -127.87 -3.72 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 1.0 108.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 82' ' ' ASN . . . -155.94 -155.02 7.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 1.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.699 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -122.59 160.06 50.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.995 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.11 -4.1 56.62 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.516 1.135 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.601 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 1.1 tt -81.15 165.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 0.744 . . . . 1.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -94.26 175.66 2.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 1.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.63 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -91.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 1.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -41.91 -29.35 0.21 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 1.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 4.7 m-20 -72.72 -45.43 58.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.728 ' O ' ' N ' ' A' ' 82' ' ' ASN . 5.4 t -52.91 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 108.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -43.42 -35.38 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.067 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.568 ' O ' ' CG ' ' A' ' 81' ' ' ARG . . . -95.09 35.11 1.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.599 ' N ' ' O ' ' A' ' 78' ' ' CYS . 44.3 mtt-85 -168.94 -38.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.728 ' N ' ' O ' ' A' ' 78' ' ' CYS . 1.7 m-80 -117.5 -110.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 60.4 m -135.27 -161.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.0 m -49.54 146.79 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.4 t80 -127.93 94.18 3.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 t -123.99 100.0 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 1.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.629 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 4.7 p-10 -85.93 -9.37 57.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 87' ' ' ASP . 2.6 t -31.28 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 1.0 110.451 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.495 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.1 mp -108.75 109.81 61.21 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.94 143.9 29.84 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.583 1.833 . . . . 1.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 12.4 mm-40 88.21 29.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 1.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' CG1' HG21 ' A' ' 89' ' ' ILE . 3.1 m -145.6 166.13 18.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 80.91 2.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.42 1.748 . . . . 1.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.629 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.2 m0 -45.23 -37.4 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.564 ' SG ' HG23 ' A' ' 73' ' ' ILE . 87.1 m -90.9 83.48 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 1.0 108.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.799 ' CD2' ' HE1' ' A' ' 60' ' ' MET . 38.9 p90 -114.16 158.93 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 68' ' ' CYS . 72.6 m-85 -68.62 150.61 97.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.76 19.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 1.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.472 ' SD ' ' CE ' ' A' ' 66' ' ' LYS . 6.0 tpt 45.59 -130.74 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t -137.14 156.7 48.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 1.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' ASP . 12.1 m -125.82 -119.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' VAL . 9.3 tt0 36.26 33.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 1.0 110.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.4 t0 -147.43 18.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.435 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 31.7 m -84.65 -82.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 1.0 108.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 106' ' ' TYR . 4.0 p-80 38.11 -153.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0 109.594 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.931 ' HE1' ' HB2' ' A' ' 8' ' ' CYS . 16.5 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mttt . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.4 Cg_endo -74.98 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 1.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.428 ' HB1' ' NE ' ' A' ' 7' ' ' ARG . . . 172.12 132.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 109.242 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -22.0 65.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 109.371 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 37.9 m -56.12 -21.36 21.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 1.0 108.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.528 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -122.57 36.0 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 3.1 m -149.85 -70.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.1 p -57.57 -27.43 62.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 30.93 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' A' ' 50' ' ' LEU . 2.0 tp-100 -71.07 -125.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.473 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 3.9 t0 -142.82 138.68 16.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 1.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 45.96 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 1.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 159.55 102.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -132.9 -43.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . 1.4 mpp_? 61.2 58.13 2.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 1.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.9 t -150.54 39.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.484 ' OD1' ' CB ' ' A' ' 44' ' ' PRO . 5.8 t30 -35.25 149.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 1.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.75 35.0 3.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 108.325 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.91 -145.68 4.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 1.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.609 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -126.9 162.89 44.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 1.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -0.95 10.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.01 11.83 29.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 1.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.568 HD13 ' CE1' ' A' ' 21' ' ' PHE . 2.4 tt -69.91 177.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.9 p -125.73 -56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 5.8 p 161.97 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 110.083 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.7 -57.68 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 1.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -53.68 -26.47 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 110.297 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -82.72 -37.05 25.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 1.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.222 ' CD1' ' CE2' ' A' ' 106' ' ' TYR . 13.0 m-85 -80.36 -1.09 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m -120.34 -6.31 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -95.05 12.77 27.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 1.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.76 12.5 84.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' CYS . 67.5 m -121.9 179.38 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -116.67 172.08 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 1.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 16.4 t80 -149.44 98.01 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 1.2 t70 -119.25 100.53 7.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 1.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.581 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 1.3 m -93.35 27.42 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -68.57 -13.37 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 1.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' A' ' 43' ' ' VAL . 48.2 t -126.79 126.79 24.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.6 27.89 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.93 -70.33 2.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 1.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.462 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m -43.21 164.4 0.13 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.484 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . 18.2 Cg_endo -74.97 117.86 5.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 1.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 11.6 m0 -77.52 -41.35 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.485 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.5 m -89.14 109.75 20.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 1.0 108.245 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -138.44 -164.56 1.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -105.07 134.32 19.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 1.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.489 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 173.99 13.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 1.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' CD2' ' OE1' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -125.21 68.38 57.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.489 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.03 168.28 25.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 1.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.4 132.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 1.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 53' ' ' GLN . 2.0 mp0 59.29 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 1.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -73.3 -3.62 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 1.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.15 133.66 40.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 56.7 mt-10 -120.51 80.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 9.3 pt-20 166.34 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' SD ' ' A' ' 60' ' ' MET . 79.4 m -84.84 9.96 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 108.318 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.528 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 1.2 t -90.37 137.29 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.211 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.674 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -179.23 176.58 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 1.0 111.089 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 3.1 mt-30 -76.68 158.9 30.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 63' ' ' SER . 17.2 m -55.04 -35.3 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 62' ' ' VAL . 30.1 t -76.39 -21.8 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 1.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.522 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -70.86 -43.85 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.506 ' HG2' ' CG ' ' A' ' 60' ' ' MET . 0.3 OUTLIER -66.48 135.21 53.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 110.248 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 93' ' ' PRO . 0.3 OUTLIER -93.93 -107.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.49 93.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 8.7 t -123.56 67.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.03 -172.26 34.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -120.32 160.49 43.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 1.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.53 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.485 1.782 . . . . 1.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -162.73 -38.77 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 1.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.509 ' HB ' ' CE2' ' A' ' 70' ' ' TYR . 13.1 tt -39.67 159.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.38 179.21 1.0 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.901 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.6 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.99 -62.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 1.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 9.9 mt-10 -71.04 -8.61 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 4.1 m-20 -90.41 -52.85 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.48 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 14.1 t -52.66 -59.97 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 108.335 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -42.98 74.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 1.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -83.23 12.08 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.055 . . . . 1.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.613 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 5.0 mmt85 -120.33 -48.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 1.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER 145.79 114.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.723 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 113.45 150.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 108.28 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.581 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 72.9 m -71.45 165.16 24.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 20.5 t80 -142.69 104.55 4.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -127.57 84.73 2.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 110.065 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 88' ' ' THR . 17.8 p-10 -71.97 -4.76 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.0 109.298 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.583 ' C ' ' O ' ' A' ' 87' ' ' ASP . 3.6 t -22.96 -46.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 1.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.63 HG21 ' N ' ' A' ' 90' ' ' PRO . 1.5 mp -114.13 150.86 44.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 1.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.742 ' O ' ' N ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 1.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.738 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 4.0 pt-20 -47.91 75.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.742 ' N ' ' O ' ' A' ' 90' ' ' PRO . 6.1 m -171.31 161.82 5.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.446 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 18.6 Cg_endo -74.97 84.8 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.8 m0 -48.25 -36.96 14.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 94.8 m -101.93 126.04 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 6.7 p90 -139.52 -171.11 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 111.058 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 68' ' ' CYS . 78.9 m-85 -103.45 133.42 20.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.1 Cg_endo -75.03 169.11 23.32 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.557 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 85.5 -14.17 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 1.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -66.76 64.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.394 1.059 . . . . 1.0 109.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -171.44 -98.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 45.32 25.04 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' VAL . 0.9 OUTLIER -139.95 14.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -82.64 124.23 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 108.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -144.36 173.7 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 109.644 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 1.222 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 3.8 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.569 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 1.1 mttt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.555 1.818 . . . . 1.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 1.185 ' CA ' ' OH ' ' A' ' 106' ' ' TYR . . . -175.32 -167.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HB2' ' CB ' ' A' ' 104' ' ' CYS . . . -131.19 -24.35 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 74.5 m -73.68 -3.17 26.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 108.308 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.603 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 9.4 mtt85 -125.06 22.29 7.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.7 m -151.46 -41.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.332 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.78 -58.77 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 1.0 110.032 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -86.56 15.2 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.1 pt20 -60.77 -159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.325 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 3.4 t70 -82.89 146.03 51.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.07 80.99 2.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 1.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.617 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 97.9 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 1.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -132.69 3.99 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.37 -153.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 1.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.422 HG13 ' CE ' ' A' ' 48' ' ' LYS . 2.6 t 65.86 132.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 1.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 23.9 t-20 -126.31 132.59 51.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 48' ' ' LYS . 52.5 t -129.24 65.52 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 108.363 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.06 -133.27 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.41 1.069 . . . . 1.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 52.8 p90 -166.95 163.0 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 1.0 110.997 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 107.18 2.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.99 4.24 10.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.437 1.086 . . . . 1.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 6.5 tt -59.03 166.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 1.0 109.238 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.5 p -128.93 39.89 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.626 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 25.1 p 63.77 -69.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 1.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.2 t70 -38.44 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -44.57 -23.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 1.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -88.34 -42.93 11.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 108.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' PHE . 7.5 m-85 -82.71 5.97 19.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.6 m -116.25 -12.61 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.36 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.2 p -100.27 7.23 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.32 14.32 66.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 1.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 m -109.96 160.5 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.79 174.09 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 108.247 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.631 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 8.1 t80 -149.8 107.38 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.4 t70 -132.93 92.33 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.67 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 3.0 m -88.82 43.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.95 -13.1 59.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 43' ' ' VAL . 13.2 t -135.47 111.91 10.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 109.218 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 1.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.436 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -115.45 4.37 21.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 1.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.597 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.0 m -137.79 169.78 12.15 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 0.727 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 121.71 6.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 1.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 3.7 m0 -77.18 -41.96 39.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.963 -1.125 . . . . 1.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' SG ' HD11 ' A' ' 24' ' ' ILE . 1.8 m -87.27 109.74 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 108.265 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CZ ' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -147.39 -153.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.675 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -121.29 154.57 58.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.514 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -75.06 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 1.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.436 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -121.37 71.04 24.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 1.0 109.231 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.01 -171.57 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 1.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.31 153.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 85' ' ' PHE . 0.7 OUTLIER 53.83 173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -10.07 25.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.84 174.84 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 110.052 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 7' ' ' ARG . 37.7 tp10 -124.69 -6.69 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.191 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -107.6 11.96 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -87.38 9.66 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 108.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.603 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 1.6 t -76.92 126.2 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.702 ' HE2' ' CD2' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -170.93 119.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 63' ' ' SER . 2.3 mp0 -64.77 161.02 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.514 ' O ' ' CB ' ' A' ' 63' ' ' SER . 30.0 m -57.82 79.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.5 m 157.72 -25.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.525 ' CB ' ' HG2' ' A' ' 60' ' ' MET . . . -82.63 -26.12 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 96' ' ' PHE . 19.3 mtt180 -68.51 110.8 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.583 ' HE2' ' CD2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -86.37 18.39 3.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 1.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 50.1 t30 57.67 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.647 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 44.8 t -159.63 162.43 35.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.19 -149.37 48.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.605 1.19 . . . . 1.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CE2' ' N ' ' A' ' 73' ' ' ILE . 34.6 p90 -123.18 162.97 36.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 79.87 2.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 1.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.11 -28.45 0.2 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.489 1.118 . . . . 1.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.559 ' N ' ' CE2' ' A' ' 70' ' ' TYR . 9.5 tt -44.81 161.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 1.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.652 ' O ' ' HB2' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -113.42 -177.16 0.42 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 1.0 109.989 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 -73.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -47.54 -21.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.57 -35.08 14.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.652 ' HB2' ' O ' ' A' ' 74' ' ' SER . 3.6 t -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.81 88.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 77' ' ' ASP . . . -61.49 -16.65 49.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.597 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -98.15 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 110.36 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 81' ' ' ARG . 8.1 m-20 148.01 55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 82' ' ' ASN . 93.8 m -160.98 146.96 14.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 108.399 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.854 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 81.2 m -83.13 132.81 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 108.372 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 9.3 t80 -118.22 105.8 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.4 t -131.07 78.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.609 ' HA ' ' CD1' ' A' ' 94' ' ' TRP . 1.4 p-10 -69.67 -5.75 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ASP . 10.7 t -36.12 -31.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -121.15 106.32 38.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.6 Cg_endo -74.95 143.99 29.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.8 mm-40 92.59 26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 1.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.461 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -152.03 171.34 6.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.94 103.47 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.609 ' CD1' ' HA ' ' A' ' 87' ' ' ASP . 36.5 m0 -69.3 -45.96 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.854 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 16.4 m -89.95 100.89 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 108.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.702 ' CD2' ' HE2' ' A' ' 60' ' ' MET . 5.0 p90 -122.26 -171.07 2.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 1.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.647 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 45.6 m-85 -106.17 144.26 28.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 1.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.2 ttm -94.84 159.72 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.9 t -98.91 165.31 11.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 1.0 109.937 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.442 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 2.2 m -59.73 -111.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 14.0 pt-20 43.17 73.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 1.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.3 p30 153.83 -26.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 5' ' ' ALA . 1.8 m -100.17 159.22 15.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 108.247 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.448 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 21.1 p80 -162.02 159.38 26.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.616 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 1.185 ' OH ' ' CA ' ' A' ' 4' ' ' ALA . 55.2 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 1.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 4.8 mttp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.798 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.95 165.2 31.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 1.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.44 141.61 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 1.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.434 ' HB2' ' N ' ' A' ' 105' ' ' HIS . . . -81.97 1.08 37.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.22 -2.56 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.725 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 2.2 mtp180 -119.97 -3.71 10.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 1.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.885 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.0 m -106.87 -37.4 6.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 1.0 108.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 8' ' ' CYS . 34.0 p -29.23 74.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.885 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.5 ttp-105 39.96 25.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 1.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 7.8 mp0 29.23 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 110.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.733 ' OD1' ' ND2' ' A' ' 15' ' ' ASN . 9.6 t70 -133.66 148.27 67.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.62 ' HD2' ' OD1' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -74.97 93.58 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 1.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.607 ' C ' ' ND2' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 95.21 68.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 1.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.733 ' ND2' ' OD1' ' A' ' 12' ' ' ASP . 6.1 m-80 -162.93 -40.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 1.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -40.04 115.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 1.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' O ' ' A' ' 18' ' ' ASN . 3.3 t -106.88 28.31 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.534 ' O ' ' O ' ' A' ' 17' ' ' VAL . 1.4 t-20 55.48 152.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 1.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 51.4 t -140.79 12.47 2.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.57 -140.36 3.3 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.503 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 1.6 p90 -122.54 161.21 44.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 1.0 110.975 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 108.91 2.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 1.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.49 -15.29 8.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.491 HD11 ' CE1' ' A' ' 21' ' ' PHE . 11.9 tt -41.82 159.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 0.797 . . . . 1.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 26' ' ' SER . 43.2 p -93.72 -104.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 1.0 110.357 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 61.7 p -149.47 -68.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 1.0 109.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -41.7 -61.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -51.3 -28.38 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 1.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' SER . 14.9 t -84.07 -37.09 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.871 ' CE1' ' HD2' ' A' ' 106' ' ' TYR . 7.7 m-85 -90.13 30.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 32' ' ' SER . 87.2 m -76.62 21.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER 78.54 0.96 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.957 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.81 -50.39 1.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.568 1.167 . . . . 1.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 37.5 m -130.45 175.83 8.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.435 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.5 m -112.64 164.34 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 108.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 40.3 t80 -144.67 103.88 3.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.673 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -98.4 -61.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.597 1.186 . . . . 1.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.666 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.2 72.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 1.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.0 mt-30 -131.53 -4.01 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.493 ' HB ' ' CG2' ' A' ' 43' ' ' VAL . 15.4 t -127.3 117.21 21.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 85.26 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.468 1.773 . . . . 1.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.58 -61.55 0.34 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.576 1.172 . . . . 1.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.683 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 29.2 m -63.24 169.91 3.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.453 0.737 . . . . 1.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.683 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.91 115.9 4.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.788 . . . . 1.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.666 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 30.9 m0 -68.03 -47.48 68.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 1.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 2.5 m -87.51 106.47 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.648 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -126.78 -169.75 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.647 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -79.5 149.16 71.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.736 ' O ' ' N ' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.01 50.25 2.48 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.709 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.5 OUTLIER 2.45 65.46 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.736 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.97 177.35 8.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 1.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -162.11 -157.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 1.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.492 ' O ' ' O ' ' A' ' 52' ' ' ALA . 20.5 mm100 -37.44 161.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 1.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -52.64 -14.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 53' ' ' GLN . 7.3 m -66.81 175.35 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.2 mt-10 -148.66 77.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.6 pt-20 163.58 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 60.2 m -83.01 3.03 31.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 108.336 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.594 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 1.5 t -75.06 117.85 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.623 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 31.8 mtm -157.16 171.08 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 2.8 mt-30 -83.16 160.1 21.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 63' ' ' SER . 3.0 m -48.08 -51.97 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.505 ' N ' ' CG2' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -63.12 -24.82 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 109.98 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.524 ' CB ' ' HB3' ' A' ' 60' ' ' MET . . . -72.26 -56.29 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 60' ' ' MET . 1.6 mtt180 -55.5 119.01 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' PRO . 6.5 tptt -78.96 -111.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 5.9 t-20 -169.07 123.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' CYS . 42.9 t -121.01 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 1.0 108.352 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.28 -152.72 0.27 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.538 1.149 . . . . 1.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 19.1 p90 -123.79 160.81 49.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.4 0.706 . . . . 1.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 1.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.24 -15.0 2.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.596 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 4.2 tt -61.25 165.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 109.353 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.622 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -117.78 -175.57 0.33 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 74' ' ' SER . 18.5 Cg_endo -74.93 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 1.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 10.7 tm-20 66.38 -58.13 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 1.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' PRO . 28.4 m-20 -66.99 -26.64 66.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.64 ' SG ' ' CD1' ' A' ' 85' ' ' PHE . 35.2 t -69.16 -71.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -49.0 -31.7 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.55 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -44.07 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.55 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.22 46.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.336 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.623 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 12.5 m120 -138.4 17.56 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.659 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 25.6 m 73.75 -165.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 68.7 m -59.27 162.22 4.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 1.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' ' SG ' ' A' ' 78' ' ' CYS . 11.2 t80 -142.64 105.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.2 t -131.84 88.61 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.955 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.66 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -73.59 -8.97 58.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' ASP . 10.1 t -34.93 -34.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.523 ' CG2' HG12 ' A' ' 92' ' ' VAL . 4.2 mm -106.82 101.68 38.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 1.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.08 140.21 24.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 1.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.476 ' C ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 mt-10 85.06 32.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.548 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -153.23 179.1 1.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.31 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.548 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.02 106.33 2.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.66 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 46.2 m0 -75.12 -40.98 59.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.498 ' SG ' ' CG2' ' A' ' 73' ' ' ILE . 75.2 m -91.11 93.97 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.623 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 30.8 p90 -115.24 167.52 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 1.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.659 ' CD1' ' SG ' ' A' ' 83' ' ' CYS . 68.9 m-85 -85.05 142.47 38.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.1 Cg_endo -75.04 -8.02 19.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 1.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.3 ptt? -75.26 149.92 38.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 99' ' ' MET . 2.1 p 153.17 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 1.0 109.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.598 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -35.58 -90.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 2.9 mm-40 94.77 12.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.0 p-10 -101.65 17.68 22.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -39.56 151.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -142.34 165.37 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.596 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.871 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 39.6 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 tttt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -74.96 -179.47 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 1.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 106' ' ' TYR . . . -59.92 -117.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' CYS . . . -158.07 -42.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 1.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -54.49 -16.93 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 1.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.529 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.6 ptm180 -102.69 22.72 13.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.8 m -150.59 -39.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 108.267 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.541 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 57.6 p -52.76 -114.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 109.957 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.612 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -75.8 -0.99 22.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.612 ' C ' ' O ' ' A' ' 10' ' ' ARG . 52.3 mt-30 19.67 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 1.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -128.79 153.07 79.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.0 74.8 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 1.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 3.8 ttpp 89.11 91.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 2.9 m-20 -130.69 -0.26 4.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.553 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.7 ptp180 39.4 -148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 16' ' ' ARG . 75.8 t 76.34 143.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -130.04 145.54 51.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.6 t -137.53 50.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 108.351 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.42 -138.79 2.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 1.0 111.031 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.587 ' CE2' HD13 ' A' ' 24' ' ' ILE . 44.8 p90 -150.46 163.46 24.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 1.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.85 6.19 12.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.587 HD13 ' CE2' ' A' ' 21' ' ' PHE . 4.0 tt -60.19 176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 1.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.6 p -121.26 -54.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.571 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 2.9 p 158.16 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.2 m-20 -43.91 -56.09 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -56.1 -26.61 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.4 t -83.72 -30.03 27.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 108.353 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 4.1 m-85 -88.87 -10.81 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.2 m -104.05 -7.98 19.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 1.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -94.23 16.25 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 15.25 80.22 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.8 m -115.25 167.48 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -103.47 164.51 11.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 108.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 38' ' ' SER . 2.6 t80 -149.91 143.39 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -127.89 -84.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.719 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 4.7 p 91.84 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.397 1.061 . . . . 1.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 11.6 mt-30 -46.48 -17.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG1' HG11 ' A' ' 43' ' ' VAL . 86.5 t -111.28 93.45 18.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.5 Cg_endo -74.95 5.21 4.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.418 1.746 . . . . 1.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -106.9 1.27 35.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 1.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.619 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.4 m -143.75 179.01 1.26 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.05 121.73 6.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.719 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 4.7 m0 -65.93 -51.9 54.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.499 1.124 . . . . 1.0 108.03 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.495 ' SG ' HD11 ' A' ' 24' ' ' ILE . 4.4 m -87.71 121.92 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -151.77 -167.54 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -99.5 168.57 9.37 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 154.84 42.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 1.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.683 ' N ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -81.22 -41.55 1.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 27.0 mm100 67.4 167.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 110.325 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.2 59.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLN . 3.9 p -84.38 -91.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' ' NH1' ' A' ' 7' ' ' ARG . 11.0 mt-10 75.12 30.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' CG ' ' C ' ' A' ' 56' ' ' GLU . 3.1 mt-10 -155.31 -39.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 88.2 m -84.18 8.91 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 108.308 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.592 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 2.0 t -76.24 118.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 1.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.716 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -161.61 135.95 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 63' ' ' SER . 33.2 mt-30 -80.07 165.85 22.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.165 . . . . 1.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 63' ' ' SER . 14.5 p -58.54 79.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.3 m 157.83 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 1.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.08 -17.01 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 96' ' ' PHE . 1.5 mmt-85 -58.42 -156.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -168.55 31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' A' ' 66' ' ' LYS . 39.2 m-80 31.73 93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.679 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 1.8 t -120.44 -162.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 45.2 -172.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.663 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 51.5 p90 -127.77 165.77 27.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 1.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.1 Cg_endo -75.0 76.72 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 1.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 168.41 -28.81 0.15 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 1.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.4 tt -57.79 165.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.567 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -129.88 -178.17 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.91 164.73 32.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 1.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.4 mt-10 70.16 -44.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.0 m-20 -75.63 -57.31 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 30.0 t -43.41 -52.29 6.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.0 108.318 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.72 87.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -90.08 23.6 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 77' ' ' ASP . 17.7 mmm180 -136.99 -43.24 0.57 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.1 p30 153.1 114.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 1.0 109.338 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 48.3 m 100.83 145.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 97.0 m -73.65 168.83 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 1.0 108.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 11.6 t80 -143.56 108.35 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.6 t -137.22 87.26 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.626 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -77.4 -2.64 36.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 87' ' ' ASP . 10.5 t -34.18 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.6 mt -121.63 128.69 25.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 1.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.94 156.31 43.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 1.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER 83.77 -73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 1.0 110.231 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.505 ' O ' ' O ' ' A' ' 91' ' ' GLU . 1.8 m -39.17 164.6 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.98 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 43.5 m0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.999 -1.112 . . . . 1.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 32.2 m -94.09 104.32 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 108.297 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 7.1 p90 -123.0 -170.48 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 1.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.679 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 5.3 m-85 -102.44 144.89 29.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 115.11 4.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.433 1.754 . . . . 1.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.91 87.79 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -44.63 132.46 6.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.017 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -106.16 -101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.2 tt0 89.68 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 1.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -36.79 -37.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -55.45 -177.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.411 ' CE1' ' OE1' ' A' ' 39' ' ' GLN . 1.9 p-80 -144.88 -174.96 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 1.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 4' ' ' ALA . 3.2 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 1.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.65 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 174.42 12.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 5' ' ' ALA . . . -37.46 -46.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.965 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . . . 88.47 -10.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -87.24 13.47 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -133.67 19.94 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 35' ' ' CYS . 3.7 m -117.66 -51.76 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 1.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 103' ' ' ASP . 46.6 p -89.77 -0.02 57.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.45 ' NH1' ' OD2' ' A' ' 103' ' ' ASP . 6.3 tpm_? -103.57 -23.12 13.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 mt-30 -49.83 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.551 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t70 -100.57 148.6 35.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.667 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.0 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 1.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.667 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 104.45 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.543 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 2.8 m-80 -160.54 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -111.69 157.66 20.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 1.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.01 -175.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.9 p30 -91.87 156.92 17.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 46' ' ' CYS . 51.0 t -139.83 43.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.5 -147.03 6.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.84 166.34 25.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 1.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.37 6.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.592 1.838 . . . . 1.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.68 7.3 20.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 1.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.609 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 3.7 tt -62.56 173.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASP . 17.0 p -131.3 39.7 3.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 30' ' ' PHE . 53.7 p 62.73 -71.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 25' ' ' THR . 25.8 m-20 -38.64 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -46.54 -23.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 1.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.9 t -88.58 -37.65 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 3.4 m-85 -88.36 36.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' SER . 85.6 m -69.02 19.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.616 ' H ' ' C ' ' A' ' 30' ' ' PHE . 2.0 t 78.87 -0.81 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.84 -55.66 0.65 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 1.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -105.38 162.0 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.3 m -107.4 169.72 8.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 1.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 46.2 t80 -151.73 102.74 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.637 ' C ' ' H ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -96.55 -60.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.704 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER 67.98 -34.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.637 ' H ' ' C ' ' A' ' 37' ' ' ASP . 13.0 mt-30 -48.94 -14.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' N ' ' C ' ' A' ' 38' ' ' SER . 97.7 t -107.73 99.16 28.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.3 Cg_endo -74.96 134.69 18.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.429 1.752 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.71 -36.14 4.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.577 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -93.07 179.7 1.24 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 1.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.96 119.55 5.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.764 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.704 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 36.1 m0 -72.62 -51.44 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.02 -1.104 . . . . 1.0 108.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' CYS . 1.8 m -93.32 104.2 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 1.0 108.351 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 45' ' ' TRP . 3.0 p90 -134.4 -166.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.736 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -88.99 161.47 40.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 1.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.547 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -74.95 159.98 40.85 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 1.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -121.65 68.25 22.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.547 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 174.43 12.79 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 1.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . 175.51 38.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 158.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 1.0 110.322 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.22 2.97 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 1.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 58.5 m -69.07 -53.1 22.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.999 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.5 tt0 86.81 13.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 1.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.09 -22.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.0 m -83.02 1.13 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 108.374 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.442 ' O ' ' SD ' ' A' ' 60' ' ' MET . 1.5 t -65.09 123.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.683 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -167.42 150.97 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 1.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 53.9 mt-30 -73.24 160.15 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 1.0 110.317 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.458 ' CG1' HG13 ' A' ' 92' ' ' VAL . 32.6 m -50.94 -46.93 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 1.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 t -70.15 -23.12 62.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 61' ' ' GLN . . . -68.97 -58.45 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 26.0 mtt180 -50.8 104.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HG3' ' CD1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -57.4 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' H ' ' CG ' ' A' ' 66' ' ' LYS . 5.5 t30 171.21 106.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.7 t -125.25 -157.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 1.0 108.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 43.19 -168.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 1.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.659 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 40.9 p90 -130.63 164.79 39.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 1.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.0 86.58 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.549 1.815 . . . . 1.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.69 -21.29 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 1.0 110.989 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.659 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.2 tt -64.18 163.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.607 ' C ' ' CE2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -125.9 -177.37 0.57 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 110.048 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.1 Cg_endo -74.96 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 tt0 67.92 -52.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 1.0 110.274 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.606 ' O ' ' N ' ' A' ' 81' ' ' ARG . 67.4 m-20 -64.38 -59.52 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.469 ' CB ' HD12 ' A' ' 73' ' ' ILE . 8.5 t -45.52 -55.68 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.16 94.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -88.47 19.46 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 77' ' ' ASP . 67.7 mtt-85 -131.74 -42.97 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.658 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER 149.87 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.238 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.658 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 60.8 m 104.41 139.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.614 1.196 . . . . 1.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.612 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 96.8 m -66.45 167.58 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 108.313 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.608 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 20.0 t80 -142.17 105.62 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -132.92 92.03 2.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.608 ' O ' ' C ' ' A' ' 88' ' ' THR . 12.3 p-10 -75.05 0.12 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 1.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.608 ' C ' ' O ' ' A' ' 87' ' ' ASP . 3.4 t -19.63 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.7 ' O ' ' NE1' ' A' ' 94' ' ' TRP . 1.2 mp -123.99 146.84 52.32 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.666 ' HD2' HG22 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -33.21 4.85 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.673 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 0.4 OUTLIER -94.16 61.56 2.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.6 1.187 . . . . 1.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.673 ' CG1' ' O ' ' A' ' 91' ' ' GLU . 17.9 m -165.18 160.08 14.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HG2' ' CB ' ' A' ' 65' ' ' ARG . 18.0 Cg_endo -75.08 80.35 2.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.551 1.816 . . . . 1.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.7 ' NE1' ' O ' ' A' ' 89' ' ' ILE . 32.5 m0 -39.91 -47.01 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 1.0 107.996 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.519 ' SG ' ' CG2' ' A' ' 73' ' ' ILE . 24.0 m -94.83 112.33 24.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.0 108.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.683 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 19.5 p90 -135.66 -172.98 3.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 1.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 6.6 m-85 -103.08 158.21 32.22 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 1.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 100' ' ' SER . 18.3 Cg_endo -74.97 -16.02 20.52 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.516 1.798 . . . . 1.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.536 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER 58.77 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.4 m 157.11 179.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 103' ' ' ASP . 2.7 m -99.61 -111.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.67 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 101' ' ' VAL . 7.7 t70 -44.76 -31.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 2.7 m -71.58 -77.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 104' ' ' CYS . 20.8 p-80 36.87 -156.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.131 . . . . 1.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.965 ' CE1' ' HB3' ' A' ' 5' ' ' ALA . 1.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.461 ' HD3' ' CD2' ' A' ' 106' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.772 ' HG2' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.91 -77.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.734 ' O ' ' CE2' ' A' ' 106' ' ' TYR . . . -163.35 -103.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.436 ' HB2' ' N ' ' A' ' 105' ' ' HIS . . . 171.45 -37.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 62.1 m -57.97 -13.22 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 108.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.575 ' CZ ' ' CB ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -113.41 22.7 13.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 110.236 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.15 -66.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 108.244 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 2.3 p -84.73 57.45 4.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 1.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.726 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER 174.77 -19.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 1.0 110.358 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.726 ' O ' ' O ' ' A' ' 10' ' ' ARG . 14.0 tt0 -43.83 -119.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.535 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 1.9 t70 -152.97 147.81 19.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.772 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.97 74.43 3.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.772 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.0 ttpp 117.14 91.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.535 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 1.7 m-80 -158.31 -42.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -114.91 169.29 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 1.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.25 178.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.517 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 8.6 t-20 -78.06 139.6 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 39.5 t -127.43 51.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.86 -150.13 8.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 1.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -127.48 164.03 38.73 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.95 8.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 1.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.94 7.51 23.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 1.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 ' CE1' ' A' ' 21' ' ' PHE . 5.3 tt -65.13 174.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 0.749 . . . . 1.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.0 p -124.29 -51.19 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 1.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 6.8 p 160.23 -72.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' OG1' ' A' ' 31' ' ' THR . 0.9 OUTLIER -42.13 -61.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.246 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -51.05 -25.14 4.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 t -85.64 -34.94 21.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 1.0 108.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.862 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 9.5 m-85 -86.77 2.08 50.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 1.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 8.0 m -109.82 -11.84 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 110.44 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -98.75 14.3 29.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 1.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.31 86.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 1.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 m -101.42 169.88 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -110.05 174.11 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 33.0 t80 -147.35 89.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 1.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.3 t70 -111.1 81.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.616 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -75.97 -13.3 60.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 1.0 109.966 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.405 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.1 mt-30 -49.81 -17.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.485 ' CG1' HG11 ' A' ' 43' ' ' VAL . 93.7 t -113.66 91.71 21.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.535 1.808 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.427 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -109.46 3.21 30.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 1.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.655 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.5 m -145.89 -175.57 0.48 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.655 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.05 124.52 8.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 5.5 m0 -73.22 -52.94 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 107.991 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 3.8 m -91.91 109.78 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 1.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -142.59 -158.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 111.043 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.722 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.31 137.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.511 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.91 -179.74 5.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.45 1.763 . . . . 1.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' CD2' ' HG3' ' A' ' 11' ' ' GLN . 1.9 pp -126.92 64.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 -171.82 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 55' ' ' SER . . . -133.53 -175.31 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.623 ' C ' ' H ' ' A' ' 55' ' ' SER . 1.6 mt-30 -58.05 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 59.04 -4.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 53' ' ' GLN . 2.2 m -37.19 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.525 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . 11.9 mt-10 64.64 53.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 5.2 pt-20 164.12 -33.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.473 ' O ' ' HE1' ' A' ' 60' ' ' MET . 71.7 m -85.41 7.28 23.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 1.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 60' ' ' MET . 4.8 t -68.29 131.52 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.717 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.9 ptp 177.12 149.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' ALA . 1.7 mp0 -80.16 159.83 25.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 1.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.513 ' CG2' HG23 ' A' ' 89' ' ' ILE . 7.5 p -49.65 -28.91 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 1.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -91.31 30.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 1.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -126.31 -61.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.549 ' NE ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -36.22 155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -111.9 -92.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.572 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 11.9 t30 173.23 113.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 1.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.5 -84.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 108.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.32 -147.22 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 1.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.636 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -122.96 157.03 61.5 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 1.0 111.064 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 83.71 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.5 -26.44 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 1.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.563 ' CG2' ' SG ' ' A' ' 95' ' ' CYS . 10.4 tt -46.63 161.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 1.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.543 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -80.67 -179.99 1.67 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.06 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.616 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.91 -90.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 6.9 pt-20 -46.79 -33.75 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.02 -30.43 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.54 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 47.6 t -77.52 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.18 . . . . 1.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 78' ' ' CYS . . . -35.99 -34.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.363 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.588 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -38.04 -69.19 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.588 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -149.22 50.25 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 110.344 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.542 ' OD1' ' CD1' ' A' ' 73' ' ' ILE . 15.3 m120 -142.0 28.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 9.3 m 72.91 -162.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 1.0 108.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.635 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 63.8 m -66.19 162.82 19.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 1.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.616 ' CE2' ' HA ' ' A' ' 75' ' ' PRO . 47.4 t80 -144.47 94.43 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.48 ' HB3' ' HE1' ' A' ' 96' ' ' PHE . 22.9 t -125.42 100.74 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.585 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -81.35 -3.59 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 1.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 87' ' ' ASP . 9.5 t -29.69 -41.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.183 . . . . 1.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.523 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.2 mp -109.41 106.0 57.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 1.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.598 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 139.62 24.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.567 1.825 . . . . 1.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.26 30.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 1.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.541 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -152.57 174.99 3.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.549 ' HD2' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.07 95.54 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 1.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.585 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -61.86 -37.93 86.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 1.0 108.038 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 65.7 m -89.27 94.08 9.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.717 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 36.5 p90 -116.15 169.25 9.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 67' ' ' ASN . 71.1 m-85 -86.25 153.33 56.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 1.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.57 87.0 7.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' VAL . 7.3 p -40.95 157.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 100' ' ' SER . 1.5 m -54.91 -107.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.22 -73.1 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -72.42 -14.63 61.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -100.19 136.15 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 108.349 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.436 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 3.0 p80 -161.66 179.27 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 1.0 109.627 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.862 ' CE1' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 1.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.625 ' CE ' ' CE1' ' A' ' 106' ' ' TYR . 2.0 mmmm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.271 -0.641 . . . . 1.0 109.271 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.95 -34.7 3.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 161.28 -105.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.574 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . . . 161.75 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -69.66 -4.03 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 108.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.519 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -121.74 17.11 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 1.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HA ' ' HG3' ' A' ' 11' ' ' GLN . 1.7 m -132.19 -42.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -92.09 -20.39 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 1.0 109.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -90.69 -22.72 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 110.281 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 6.6 mt-30 -46.75 168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.533 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 6.0 t70 -91.01 145.67 32.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.716 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.1 85.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 1.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.716 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 15.3 ttmt 108.32 81.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.533 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 7.1 m-80 -162.37 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 1.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.624 ' HG3' ' CG ' ' A' ' 47' ' ' PHE . 5.6 mmp_? -57.15 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 18' ' ' ASN . 1.4 t -138.78 32.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.1 t-20 60.87 142.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 1.0 109.237 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.5 t -140.99 60.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.19 -148.92 13.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.558 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -129.07 164.73 37.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 1.0 111.016 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.98 2.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.526 1.803 . . . . 1.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ILE . . . 118.75 -9.62 12.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 1.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.471 HG12 ' N ' ' A' ' 25' ' ' THR . 8.4 tt -42.96 165.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.587 ' O ' ' C ' ' A' ' 26' ' ' SER . 48.8 p -114.08 124.25 51.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' PHE . 83.2 p -22.86 -71.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' PHE . 98.8 m-20 -37.53 -71.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 1.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.402 ' HG2' ' OG1' ' A' ' 25' ' ' THR . 25.8 mm-40 -46.49 -28.51 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.387 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 t -81.94 -32.75 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 106' ' ' TYR . 4.8 m-85 -91.08 35.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 32' ' ' SER . 51.9 m -71.19 14.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 1.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 79.38 -5.71 1.91 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 1.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.71 -40.71 4.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.1 m -129.87 175.76 8.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 3.8 m -119.38 168.65 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 108.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 18.4 t80 -139.99 95.29 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.0 t70 -121.93 88.72 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.679 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 31.4 t -84.76 -11.19 56.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 1.149 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 13.1 mt-30 -50.72 -13.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 ' N ' ' C ' ' A' ' 38' ' ' SER . 87.1 t -111.21 94.15 20.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.03 132.19 15.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 1.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.09 -17.52 34.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -116.42 178.1 1.06 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 1.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 119.62 5.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 1.0 111.032 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.679 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 23.6 m0 -73.27 -53.47 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 8.9 m -89.58 107.2 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CG ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -134.0 -166.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.443 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -111.5 143.04 27.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.449 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 157.73 42.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 1.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.759 ' CB ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -52.84 -73.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.759 ' HD3' ' CB ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.97 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 1.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.9 54.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -139.82 142.66 36.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.67 0.01 19.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m -43.66 -56.33 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 110.048 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.57 81.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 1.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 174.44 -33.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.85 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.6 m -84.1 -84.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.85 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.9 OUTLIER 26.59 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.744 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 4.3 ptp 179.08 138.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 1.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.6 mt-30 -83.82 165.99 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 63' ' ' SER . 12.3 p -61.01 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t 160.39 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -81.69 -16.82 50.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 178.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.681 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -129.6 -34.48 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.681 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 26.5 t30 98.36 84.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.9 t -120.95 -168.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 108.253 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 46.57 -176.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 1.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.654 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 44.8 p90 -125.57 164.36 33.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 81.4 2.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 1.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.31 -25.75 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 1.0 111.027 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.654 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 4.6 tt -56.79 160.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 1.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.558 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -97.32 -178.97 0.8 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 1.0 109.971 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.603 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.493 1.786 . . . . 1.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -50.7 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 1.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -64.58 -53.72 43.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 41.8 t -50.55 -65.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 108.374 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.21 61.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -83.57 13.73 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.603 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 9.1 mmt180 -121.86 -45.91 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 1.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 10.7 m-20 146.62 113.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.721 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 111.17 143.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.705 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 47.7 m -66.15 164.49 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 23.3 t80 -142.79 99.72 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 t -132.1 97.27 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.576 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 1.8 p-10 -82.28 -6.02 58.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.485 ' C ' ' O ' ' A' ' 87' ' ' ASP . 5.1 t -31.48 -40.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.538 HG23 ' CG1' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -108.93 103.89 53.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.97 140.73 25.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 1.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.07 28.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -152.09 177.11 2.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 1.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 103.49 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 1.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.576 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 40.3 m0 -71.21 -39.4 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.623 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.6 m -91.66 93.51 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 108.246 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.744 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 20.2 p90 -113.01 -173.18 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 67.1 m-85 -103.76 162.39 20.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 1.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.01 17.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.823 . . . . 1.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.42 ' C ' ' OG ' ' A' ' 100' ' ' SER . 9.5 ptt? -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.42 ' OG ' ' C ' ' A' ' 99' ' ' MET . 0.0 OUTLIER 61.89 79.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 1.0 109.958 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.601 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -138.01 -93.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.601 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 4.0 tt0 94.06 -20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 105' ' ' HIS . 99.4 m-20 -71.22 -9.32 57.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 11.6 m -41.63 -45.64 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 108.361 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.593 ' HD1' ' N ' ' A' ' 106' ' ' TYR . 1.3 p80 36.99 -154.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.535 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.776 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 53.0 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.478 ' HE2' ' CG ' ' A' ' 30' ' ' PHE . 8.3 mttt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.0 -70.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 1.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.477 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -178.94 -174.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.509 ' HB2' ' N ' ' A' ' 105' ' ' HIS . . . -112.6 -15.35 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.9 m -76.65 -6.64 52.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 108.27 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.477 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -121.38 30.43 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CA ' ' OE1' ' A' ' 11' ' ' GLN . 2.1 m -147.26 -46.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 108.289 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 20.9 p -88.7 69.32 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.668 ' O ' ' C ' ' A' ' 11' ' ' GLN . 2.0 mmm180 158.43 -23.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 1.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.668 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -10.97 -92.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.5 t70 -150.99 145.61 18.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.04 67.86 5.89 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.492 1.785 . . . . 1.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 89.84 101.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.5 m-20 -117.01 -33.17 4.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER 85.27 3.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.435 1.085 . . . . 1.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.96 142.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.483 ' N ' ' ND2' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -130.95 160.37 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.25 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -140.13 55.7 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 108.268 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.76 -122.23 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 24' ' ' ILE . 4.5 p90 -161.37 161.42 23.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 1.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 1.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.6 -1.1 11.22 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 21' ' ' PHE . 3.8 tt -50.25 165.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 22.0 p -108.06 -57.99 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 1.0 110.367 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.8 p 159.93 -67.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -43.62 -55.09 4.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.58 -28.56 55.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 6.4 t -84.16 -38.17 21.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 1.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 3.4 m-85 -89.31 38.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.417 ' O ' ' CB ' ' A' ' 32' ' ' SER . 86.0 m -81.54 23.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 110.367 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 79.22 2.55 2.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 1.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.38 -61.34 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 1.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 37.9 m -114.87 170.1 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 1.0 108.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.558 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -110.12 169.92 8.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 108.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CZ ' ' OG ' ' A' ' 38' ' ' SER . 48.5 t80 -151.25 115.64 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -102.29 -60.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.687 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.19 75.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 1.0 110.03 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.492 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 5.1 mt-30 -134.14 -8.53 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 43' ' ' VAL . 6.8 t -137.68 116.77 9.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 4.18 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 1.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.461 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -112.52 4.71 26.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.143 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 3.3 m -139.32 169.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.598 0.822 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.05 121.33 6.49 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.545 1.813 . . . . 1.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.687 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 21.2 m0 -74.13 -46.61 41.49 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.082 -1.081 . . . . 1.0 108.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -88.49 124.52 34.07 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 1.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -144.22 -169.97 3.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 110.997 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -104.92 132.63 20.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 1.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.473 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 -165.62 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 1.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.566 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -137.87 56.95 12.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 137.9 22.25 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 1.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.641 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -165.96 74.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.641 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER 151.41 167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.56 5.57 14.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.445 ' CB ' ' HG2' ' A' ' 57' ' ' GLU . 57.0 m -152.01 153.71 34.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 44.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 110.365 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 55' ' ' SER . 8.5 pt-20 -109.6 -30.23 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' SD ' ' A' ' 60' ' ' MET . 66.8 m -84.44 -74.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.749 ' O ' ' HB2' ' A' ' 60' ' ' MET . 1.5 t 44.05 -147.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.749 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER 78.18 142.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 111.068 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.421 ' CG ' HD21 ' A' ' 50' ' ' LEU . 11.2 mt-30 -86.45 169.75 12.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 1.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CG1' HD12 ' A' ' 89' ' ' ILE . 19.7 m -51.18 -32.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 p -97.69 46.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 1.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.36 -45.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 1.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HD3' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -51.57 128.73 23.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 1.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.491 ' CD ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 tmtp? -111.38 128.33 55.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 1.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LYS . 6.9 p30 -37.49 110.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.619 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 7.9 t -132.17 103.79 6.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 108.26 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.29 -150.08 17.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.427 1.08 . . . . 1.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -120.54 153.48 56.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 1.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 8.29 2.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 1.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.99 -16.59 10.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 1.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.529 ' CG2' ' SG ' ' A' ' 95' ' ' CYS . 4.4 tt -59.96 165.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 1.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -127.04 -176.42 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.05 169.14 23.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 1.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 tm-20 69.98 -51.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 1.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 81' ' ' ARG . 33.4 m-20 -73.87 -50.64 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 47.6 t -46.22 -39.32 9.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 108.33 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.78 -36.68 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.49 20.42 2.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mmp_? -131.2 -48.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.731 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.8 m-20 149.79 114.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.731 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 99.6 m 115.65 145.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 108.339 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 9.9 m -70.94 168.46 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 47.7 t80 -143.45 97.86 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 t -128.18 97.43 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.615 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 5.3 p-10 -90.02 -2.11 58.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 87' ' ' ASP . 9.8 t -34.92 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.1 mp -121.7 129.94 24.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.329 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.03 149.39 36.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.544 1.812 . . . . 1.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER 89.16 -68.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 1.0 110.287 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.478 HG12 ' CG2' ' A' ' 89' ' ' ILE . 12.2 m -39.48 161.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.01 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.438 1.757 . . . . 1.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.615 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -51.78 -43.54 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 1.0 107.969 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 96.1 m -95.5 108.7 20.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 84' ' ' CYS . 7.3 p90 -130.55 -172.41 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 80.5 m-85 -97.89 147.29 32.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.95 25.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.53 151.94 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.48 127.31 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 1.0 110.058 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -147.2 -97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 5.7 tt0 88.32 31.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 9.5 p-10 -163.88 31.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 105' ' ' HIS . 3.3 m -65.42 -58.04 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.509 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 7.8 p-80 54.07 165.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 1.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.5 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 89.4 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.629 ' NZ ' ' CZ ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.98 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 1.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.769 ' C ' ' OH ' ' A' ' 106' ' ' TYR . . . 162.23 -43.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 1.278 ' HB1' ' CZ ' ' A' ' 106' ' ' TYR . . . 103.48 -9.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.53 ' SG ' ' CG1' ' A' ' 101' ' ' VAL . 96.1 m -79.48 -5.36 54.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 1.0 108.366 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.609 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -134.76 40.86 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 1.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.647 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.3 m -142.67 -41.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 1.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.545 ' C ' ' O ' ' A' ' 8' ' ' CYS . 24.3 p -26.88 87.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.647 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 41.32 31.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 10' ' ' ARG . 1.6 mm-40 18.63 -94.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.535 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 5.1 t70 -138.35 148.2 58.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 81.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.791 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 7.9 tttp 97.66 97.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -139.96 -22.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 5.0 ptp85 42.77 78.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.0 t -151.31 38.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.493 ' C ' ' O ' ' A' ' 17' ' ' VAL . 12.4 t-20 -33.52 148.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -133.53 16.63 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 108.248 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . -154.19 -135.91 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 1.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.649 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -141.14 164.44 35.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 1.0 110.996 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.31 7.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 1.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.11 12.58 16.96 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.49 1.119 . . . . 1.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.618 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 2.6 tt -68.37 175.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.404 0.708 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.6 p -141.0 46.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 29' ' ' CYS . 80.5 p 60.64 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 m-20 -38.75 -67.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -48.27 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.305 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.7 t -90.0 -34.84 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 108.26 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 6.1 m-85 -91.94 8.44 37.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 5.0 m -115.51 -13.48 11.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.463 1.102 . . . . 1.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 p -99.78 9.14 43.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.0 110.027 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.43 -4.52 86.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 1.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 95.6 m -85.81 171.75 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 2.1 m -114.86 160.29 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 108.318 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.625 ' CZ ' ' OG ' ' A' ' 38' ' ' SER . 24.9 t80 -143.51 142.0 30.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 1.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -131.56 -57.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.625 ' OG ' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER 51.5 64.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 1.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.498 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.4 mt-30 -129.15 -6.25 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 1.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.482 ' CG1' HG21 ' A' ' 43' ' ' VAL . 24.2 t -126.91 123.86 23.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 118.45 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 1.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.76 -64.2 0.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 1.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 10.5 m -54.97 167.17 0.67 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 1.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.02 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 110.997 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 37.6 m0 -66.71 -45.44 78.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.7 m -89.3 135.8 33.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -151.33 -167.82 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 111.02 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -114.12 155.17 45.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.526 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 170.16 21.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 1.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD11 ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -118.99 72.48 11.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.223 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -75.06 149.73 36.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 1.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.71 148.48 26.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 56.58 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.96 -7.12 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 1.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 2.2 t -65.54 -53.03 47.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.631 1.207 . . . . 1.0 110.022 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 55' ' ' SER . 14.9 tt0 88.46 -27.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.82 11.45 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 55' ' ' SER . 77.6 m -86.97 9.81 18.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 1.0 108.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.609 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 2.1 t -72.36 145.8 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.777 ' SD ' ' CD2' ' A' ' 96' ' ' PHE . 10.8 ptp 175.74 138.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 63' ' ' SER . 15.8 mt-30 -84.78 166.19 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.347 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.672 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -57.64 83.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 156.99 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.541 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -81.71 -18.59 43.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.596 ' HD3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.07 -171.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -151.37 -110.44 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -176.79 74.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 109.369 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 35.1 t -111.62 64.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 108.275 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.81 -176.24 35.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.413 1.071 . . . . 1.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.674 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -123.03 162.23 40.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 1.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 1.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.26 -14.89 23.08 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.381 1.051 . . . . 1.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.519 ' HB ' ' CE2' ' A' ' 70' ' ' TYR . 14.2 tt -69.85 165.01 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -106.97 178.41 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -75.0 -61.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.433 1.754 . . . . 1.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 28.5 mt-10 -70.99 -11.2 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -87.42 -52.73 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 1.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 15.9 t -51.63 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 1.0 108.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.81 -43.98 66.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -83.12 12.53 5.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 1.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.5 mmt180 -120.11 -46.16 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.734 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 142.44 116.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.734 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 74.9 m 115.88 149.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 1.0 108.263 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.709 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 71.2 m -71.92 154.83 40.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 19.8 t80 -140.19 100.11 3.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.565 1.166 . . . . 1.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.472 ' OG ' HG23 ' A' ' 88' ' ' THR . 36.1 t -131.02 92.43 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 110.014 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.614 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.4 OUTLIER -79.44 -1.61 38.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 1.0 109.382 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.494 ' CG2' HD11 ' A' ' 89' ' ' ILE . 11.9 t -34.17 -34.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.494 HD11 ' CG2' ' A' ' 88' ' ' THR . 1.2 mp -120.01 109.49 37.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 1.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.639 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.9 140.49 25.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 1.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.639 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.3 mm-40 97.97 21.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.584 HG12 ' CG2' ' A' ' 62' ' ' VAL . 2.5 m -142.29 165.53 26.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.99 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.57 1.826 . . . . 1.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.614 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 20.6 m0 -53.42 -39.04 64.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 108.024 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 92.7 m -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.777 ' CD2' ' SD ' ' A' ' 60' ' ' MET . 14.4 p90 -112.05 -169.95 1.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 1.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 57.5 m-85 -100.05 140.34 21.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 99' ' ' MET . 18.2 Cg_endo -74.99 176.91 9.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.431 1.753 . . . . 1.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 73.21 -165.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 99' ' ' MET . 0.9 OUTLIER 78.6 113.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 1.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.79 ' O ' ' N ' ' A' ' 103' ' ' ASP . 1.9 m -135.0 -103.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 104' ' ' CYS . 0.0 OUTLIER 39.83 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 1.0 110.233 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.79 ' N ' ' O ' ' A' ' 101' ' ' VAL . 14.6 t0 -37.8 -28.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.586 ' SG ' ' HA ' ' A' ' 101' ' ' VAL . 4.5 m -60.82 140.64 57.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.587 1.179 . . . . 1.0 108.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.416 ' C ' ' HB3' ' A' ' 5' ' ' ALA . 2.4 p-80 -173.17 -179.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 1.278 ' CZ ' ' HB1' ' A' ' 5' ' ' ALA . 47.9 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 1.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 5.6 mttt 162.73 102.68 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 -84.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.498 ' CB ' ' HG3' ' A' ' 7' ' ' ARG . . . -159.41 -171.61 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.549 ' HB2' ' N ' ' A' ' 105' ' ' HIS . . . -98.52 -32.47 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m -72.06 -20.01 61.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.498 ' HG3' ' CB ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -81.05 -11.04 59.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.06 -70.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 108.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 p -50.85 -55.44 16.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 110.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.02 50.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 1.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -79.58 -101.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.544 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.2 t70 -151.29 146.6 19.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 1.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.06 78.36 2.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 1.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 91.03 108.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.544 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -116.65 -7.09 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 45.15 23.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' ' CG ' ' A' ' 44' ' ' PRO . 60.4 t -132.97 149.91 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 3.2 p30 -130.03 163.08 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -138.64 24.94 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 108.277 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.94 -139.23 3.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 1.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' HD11 ' A' ' 24' ' ' ILE . 53.5 p90 -144.4 161.27 45.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 1.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 112.17 3.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.533 1.807 . . . . 1.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.68 3.65 16.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 1.0 111.081 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.579 HD11 ' CE2' ' A' ' 21' ' ' PHE . 3.5 tt -58.34 175.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' SER . 23.4 p -119.0 -55.35 2.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 4.6 p 159.93 -74.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.4 t70 -41.44 -56.14 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -55.64 -26.71 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.1 t -84.43 -31.89 24.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 108.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 22.6 m-85 -85.36 -8.82 58.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ASP . 19.8 m -99.52 -10.61 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -95.85 12.97 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.59 7.92 85.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' PHE . 59.1 m -108.85 161.15 15.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.525 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -101.4 167.78 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 41.7 t80 -150.07 126.89 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.738 ' O ' ' HB3' ' A' ' 38' ' ' SER . 0.2 OUTLIER -121.96 -70.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 1.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.845 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 30.0 t 84.53 -31.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 110.059 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.636 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -30.42 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 110.301 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 38' ' ' SER . 39.0 t -93.43 108.32 32.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.06 136.25 20.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 1.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.08 -52.71 0.98 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 1.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.55 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -70.05 -179.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 1.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 117.24 4.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.432 1.754 . . . . 1.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.845 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 34.3 m0 -74.03 -49.13 25.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.419 ' SG ' HD12 ' A' ' 24' ' ' ILE . 1.8 m -89.46 118.82 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 108.258 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.525 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -140.24 -165.61 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 1.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -97.43 164.38 17.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.289 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -170.18 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.55 1.816 . . . . 1.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' O ' HG11 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -138.19 59.38 18.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.03 157.33 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.607 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -172.77 39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER 168.07 155.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.227 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.89 2.19 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 1.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -131.67 128.53 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 1.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.35 55.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' SD ' ' A' ' 99' ' ' MET . 10.1 pt-20 -125.51 -31.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 84' ' ' CYS . 81.6 m -84.46 -78.91 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 108.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.719 ' O ' ' HB3' ' A' ' 60' ' ' MET . 1.8 t 49.45 116.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.792 ' SD ' ' CD1' ' A' ' 96' ' ' PHE . 14.4 ptp 163.08 145.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.516 ' HG3' ' CD2' ' A' ' 50' ' ' LEU . 2.8 mt-30 -87.73 171.1 10.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.649 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 2.4 m -63.33 79.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 161.51 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.956 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -86.91 -7.94 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.544 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 18.3 mtt180 -80.32 8.63 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.686 ' HZ2' ' N ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER 35.95 -98.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.585 ' C ' ' HE2' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 160.72 82.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.686 ' N ' ' HZ2' ' A' ' 66' ' ' LYS . 41.8 t -77.57 -84.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.97 -155.23 0.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.738 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -122.47 158.46 56.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.764 . . . . 1.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 7.76 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 1.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 -13.43 13.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 1.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.642 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 3.3 tt -75.35 164.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -115.99 -176.55 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.963 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.664 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.93 174.38 12.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 1.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 0.2 OUTLIER 63.38 -58.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 75' ' ' PRO . 7.9 m-20 -63.74 -35.18 79.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.478 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 40.9 t -62.42 -70.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.102 . . . . 1.0 108.356 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.22 -12.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 77' ' ' ASP . . . -54.88 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.479 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.86 48.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 73' ' ' ILE . 10.6 m120 -134.33 -108.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 4.6 m -154.95 -168.24 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 108.252 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 4.0 m -47.06 157.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 75' ' ' PRO . 73.2 t80 -143.42 82.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.431 ' HB3' ' HE2' ' A' ' 96' ' ' PHE . 40.7 t -112.01 93.16 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.636 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -83.43 -6.63 59.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 87' ' ' ASP . 9.0 t -34.38 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -117.93 106.97 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.01 144.5 30.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.452 1.764 . . . . 1.0 111.017 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.615 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 92.78 25.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.325 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.485 ' CG1' HG23 ' A' ' 89' ' ' ILE . 1.1 m -147.8 169.03 9.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 65' ' ' ARG . 17.9 Cg_endo -75.08 100.58 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 1.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.636 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 37.6 m0 -68.89 -46.18 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.807 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 75.2 m -83.48 92.01 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.348 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.792 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 30.8 p90 -122.15 159.53 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.157 . . . . 1.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' ' CE ' ' A' ' 66' ' ' LYS . 22.5 m-85 -65.46 151.09 95.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.43 36.59 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.537 1.809 . . . . 1.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.49 ' HG2' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -40.98 -36.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 1.0 111.032 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.49 ' N ' ' HG2' ' A' ' 99' ' ' MET . 33.8 m 35.74 69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.607 1.192 . . . . 1.0 109.963 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -151.11 -98.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.7 mt-10 90.03 0.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -92.8 25.17 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 1.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.09 177.02 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.549 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 43.7 p-80 -163.08 -167.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 1.0 109.528 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.889 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 12.3 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.312 -0.255 . . . . 1.0 110.312 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' CE ' ' CE2' ' A' ' 106' ' ' TYR . 0.0 OUTLIER 64.61 100.5 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 1.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 -92.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.389 1.731 . . . . 1.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 1.016 ' HA ' ' OH ' ' A' ' 106' ' ' TYR . . . -174.75 143.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 1.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.786 ' N ' ' CZ ' ' A' ' 106' ' ' TYR . . . -61.01 -27.83 68.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 1.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.0 m -64.99 -13.13 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 108.204 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.483 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.32 14.29 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 110.259 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.666 ' O ' ' N ' ' A' ' 10' ' ' ARG . 5.2 m -134.15 -38.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 108.241 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.5 p -30.67 86.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 1.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 44.61 23.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 21.89 -91.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.593 1.183 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -119.13 152.89 52.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.4 Cg_endo -74.99 78.31 2.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 1.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 79.57 100.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CG ' ' CG ' ' A' ' 12' ' ' ASP . 3.7 m-20 -130.54 -3.34 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.379 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 64.25 8.61 4.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 1.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.1 t -63.89 167.71 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.565 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 2.9 p30 -172.75 130.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -140.17 28.17 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.23 -154.61 8.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.11 . . . . 1.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -126.74 163.31 41.86 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 1.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.61 10.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.377 1.725 . . . . 1.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.68 15.84 21.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.584 HD13 ' CE1' ' A' ' 21' ' ' PHE . 1.4 tt -71.71 -178.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 1.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CB ' ' A' ' 26' ' ' SER . 19.3 p -127.1 -48.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 1.0 110.433 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.1 p 151.07 -76.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.5 p-10 -41.08 -53.97 2.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -55.49 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.7 t -82.21 -39.24 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 1.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 106' ' ' TYR . 13.3 m-85 -76.19 -13.52 60.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 1.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.8 m -101.47 -11.02 19.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 1.0 110.362 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -94.74 20.39 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.92 44.55 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.8 m -110.25 165.21 11.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.583 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 24.9 m -104.94 162.88 12.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 1.0 108.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.615 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 36.7 t80 -150.63 113.21 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.553 ' OD1' ' HB2' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -102.45 -78.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 1.0 109.269 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.772 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER 88.15 -26.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 1.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.553 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 13.3 mt-30 -42.21 -21.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' SER . 97.9 t -106.06 101.9 36.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -75.04 129.1 12.0 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.16 -41.19 2.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.613 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -87.63 -175.43 0.58 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 1.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.613 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.1 123.7 8.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 1.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.772 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 33.3 m0 -82.17 -49.94 9.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 1.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.524 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.3 m -89.34 129.57 35.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 1.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.583 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.34 -167.89 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 110.965 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -94.01 165.33 18.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.226 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.503 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.02 153.99 42.09 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.525 1.803 . . . . 1.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -120.62 71.57 19.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 1.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -148.38 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 52' ' ' ALA . 3.1 mt-30 -35.34 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -54.17 -13.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 53' ' ' GLN . 68.2 m -93.65 90.12 6.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.047 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 tt0 -48.12 96.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 1.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.6 pt-20 165.33 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.5 m -80.13 -4.17 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 108.21 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.3 t -62.34 107.39 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.645 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 34.3 mtm -154.72 146.28 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -84.5 166.31 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.514 ' O ' ' CB ' ' A' ' 63' ' ' SER . 13.5 p -60.84 83.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.3 m 158.99 -25.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.505 ' HB2' ' CG ' ' A' ' 60' ' ' MET . . . -81.41 -19.21 43.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -52.04 175.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 110.269 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 4.1 mmtm -131.92 4.88 4.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 41.4 t30 61.95 87.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.256 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.671 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 3.0 t -128.53 -173.46 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 1.0 108.319 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.27 -173.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -129.35 167.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 1.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 66.8 6.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 1.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -178.62 -36.52 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 1.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.503 ' HB ' ' CE2' ' A' ' 70' ' ' TYR . 14.2 tt -48.54 159.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -105.75 -178.25 0.59 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.611 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.08 -66.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 1.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -63.36 -12.59 31.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' ARG . 61.0 m-20 -91.21 -45.7 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.49 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 48.0 t -52.35 -62.27 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 1.0 108.346 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.81 82.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -69.21 -7.53 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -104.57 -57.65 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.738 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 6.7 m-20 151.23 107.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.738 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 66.0 m 120.55 149.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 1.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.747 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 77.1 m -74.31 165.11 25.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.7 t80 -142.46 105.03 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 t -135.62 100.9 4.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.583 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -83.46 -0.73 51.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 87' ' ' ASP . 9.5 t -32.22 -37.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.519 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.2 mp -114.79 107.67 50.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.03 140.01 24.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 1.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.2 mt-10 90.86 31.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 1.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.564 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -153.76 177.73 1.87 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.07 97.49 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 1.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.583 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.2 m0 -64.75 -38.22 90.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.747 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.1 m -95.12 107.38 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 1.0 108.292 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 3.5 p90 -120.95 -171.21 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.671 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 47.8 m-85 -108.38 130.46 22.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.177 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.3 Cg_endo -75.02 109.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 1.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.632 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER 162.37 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 1.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 99' ' ' MET . 5.2 p 98.51 171.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.545 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -33.35 -95.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' A' ' 101' ' ' VAL . 18.5 mt-10 88.92 29.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.3 t0 -87.92 22.62 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -41.22 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.503 ' C ' ' HB3' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -150.9 178.01 9.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 1.0 109.573 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 1.016 ' OH ' ' HA ' ' A' ' 4' ' ' ALA . 39.2 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 2' ' ' LYS . 15.3 pm0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.346 -0.242 . . . . 1.0 110.346 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.577 ' HD3' ' CE1' ' A' ' 106' ' ' TYR . 1.9 mttt 73.67 124.0 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' O ' ' HD2' ' A' ' 7' ' ' ARG . 17.9 Cg_endo -75.13 28.29 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . 81.72 154.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 105' ' ' HIS . . . -106.65 -15.9 14.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.2 m -66.5 -16.26 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.54 ' HB2' ' CB ' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -111.55 29.95 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.2 m -148.25 -58.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 108.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 96.9 p -46.73 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -76.32 52.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 48' ' ' LYS . 58.8 tt0 -75.77 -86.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.135 . . . . 1.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 14' ' ' LYS . 6.7 t70 -150.43 146.19 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.98 32.54 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.4 mttt 163.8 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 1.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 1.3 m-80 -100.24 -11.96 19.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 17' ' ' VAL . 11.0 mtm105 43.63 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 16' ' ' ARG . 10.6 t -28.79 134.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -103.52 158.76 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.411 ' N ' ' HA ' ' A' ' 47' ' ' PHE . 3.9 t -131.61 56.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.3 -142.02 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 1.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.615 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.46 164.09 42.56 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 1.0 111.048 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.82 8.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 1.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.23 16.55 17.52 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.6 HD13 ' CE1' ' A' ' 21' ' ' PHE . 4.9 tt -75.18 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' SER . 7.8 p -131.53 -58.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 110.453 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER 177.08 -71.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.26 -60.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -56.47 -25.15 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 34' ' ' CYS . 2.6 t -94.0 1.24 56.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 1.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.87 ' CE1' ' HD1' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -137.97 32.63 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.5 m -137.26 -108.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 1.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.74 29.94 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -117.62 -93.65 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.556 1.16 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 29' ' ' CYS . 35.7 m -156.01 -156.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 10.4 m -89.61 165.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 25.8 t80 -150.69 80.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.9 t70 -98.04 96.89 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -93.28 38.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 1.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -77.81 -15.15 59.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG1' HG11 ' A' ' 43' ' ' VAL . 22.9 t -133.38 110.25 12.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.172 . . . . 1.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 5.01 4.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 1.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.62 4.11 27.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.484 1.115 . . . . 1.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.642 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.4 m -137.24 171.38 8.64 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.573 0.808 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.98 122.19 7.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.408 1.741 . . . . 1.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.606 ' CD2' ' HB3' ' A' ' 38' ' ' SER . 2.1 m0 -82.06 -41.44 20.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 107.975 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.486 ' SG ' HD11 ' A' ' 24' ' ' ILE . 22.8 m -85.75 108.56 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 1.0 108.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -149.47 -171.66 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 111.067 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.512 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -89.51 153.56 48.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 1.0 109.419 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.54 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.615 1.85 . . . . 1.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.598 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.7 pp -132.04 55.43 18.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 1.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.598 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 -176.98 3.16 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.532 1.806 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.646 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -175.8 87.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.646 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 150.75 172.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.63 8.61 5.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 1.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -144.84 166.38 25.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 1.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 58.6 mt-10 -111.8 104.2 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.254 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 175.74 -24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 110.29 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.523 ' O ' ' CE2' ' A' ' 96' ' ' PHE . 91.2 m -82.26 4.15 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 1.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.6 t -71.76 125.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.657 ' HE2' ' CD2' ' A' ' 96' ' ' PHE . 2.5 mtm -163.77 151.08 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' N ' ' HB1' ' A' ' 64' ' ' ALA . 4.7 mt-30 -71.38 167.42 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -62.58 -19.9 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -93.45 -15.03 26.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.485 ' O ' ' O ' ' A' ' 65' ' ' ARG . . . -75.6 -52.77 9.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.511 ' CD ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -40.37 165.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 110.314 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -150.85 43.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.561 ' O ' ' O ' ' A' ' 66' ' ' LYS . 5.0 p30 40.68 100.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 5.7 t -127.31 60.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.5 -164.89 33.73 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -119.16 159.05 46.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 1.0 110.984 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 60.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.792 . . . . 1.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -169.83 -36.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 78' ' ' CYS . 13.0 tt -40.01 160.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 1.0 109.276 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.519 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -107.7 179.16 0.92 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 1.0 109.96 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.98 -55.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 16.5 mt-10 -70.22 -17.85 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' ARG . 16.3 m-20 -87.59 -45.33 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 74' ' ' SER . 42.8 t -51.36 -62.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.405 1.065 . . . . 1.0 108.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.33 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -80.14 8.56 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 14.4 mmt180 -118.24 -51.55 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.746 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 15.3 m-20 143.0 110.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.39 1.056 . . . . 1.0 109.381 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.746 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 94.9 m 123.11 148.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 1.0 108.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.714 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 87.7 m -70.99 163.98 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 108.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 21.3 t80 -140.28 103.28 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 t -134.12 95.29 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.589 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -79.45 -4.06 49.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 87' ' ' ASP . 7.0 t -30.67 -38.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.1 mp -113.04 106.93 54.7 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.07 139.83 24.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 1.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.6 OUTLIER 90.86 32.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 1.0 110.337 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.556 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -153.31 175.43 3.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 96.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.589 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.9 m0 -62.77 -34.82 78.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.714 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 90.0 m -95.5 101.43 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 1.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.657 ' CD2' ' HE2' ' A' ' 60' ' ' MET . 5.0 p90 -115.76 -170.75 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 1.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.634 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 64.5 m-85 -104.24 130.95 22.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.2 Cg_endo -75.01 156.91 42.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 1.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 158.03 -169.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.52 174.28 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 1.0 109.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.7 OUTLIER -130.64 -98.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 12.8 tt0 91.0 20.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -117.42 -13.73 10.36 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.2 m -87.72 135.93 33.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 1.0 108.246 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 4.0 p80 -91.83 176.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.569 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.87 ' HD1' ' CE1' ' A' ' 30' ' ' PHE . 46.9 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.356 -0.238 . . . . 1.0 110.356 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 4' ' ' ALA . 3.1 mttt 62.58 133.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' O ' ' CD ' ' A' ' 7' ' ' ARG . 18.5 Cg_endo -74.93 23.08 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 1.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . 76.37 139.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.607 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . . . -89.47 -5.83 56.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 83.2 m -76.09 2.14 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 1.0 108.299 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' HB2' ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -129.76 24.85 5.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.212 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -136.39 -46.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 1.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 p -95.28 -1.4 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 1.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -113.41 -16.14 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.305 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -61.53 -158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 2.4 t70 -85.02 145.51 43.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 1.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.99 81.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 93.07 104.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 1.0 109.378 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.24 -0.23 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.257 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 ttp-105 52.86 28.75 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 1.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 HG12 ' CE ' ' A' ' 48' ' ' LYS . 38.5 t -124.0 155.09 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 19' ' ' CYS . 20.7 t-20 -132.74 156.04 47.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 18' ' ' ASN . 8.3 t -140.08 67.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 1.0 108.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.16 -152.37 22.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.67 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -125.98 168.18 14.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 1.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -0.82 10.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.8 14.63 11.44 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.529 1.143 . . . . 1.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.585 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 17.6 tt -72.19 164.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 1.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' ' C ' ' A' ' 26' ' ' SER . 81.9 p -128.68 127.65 42.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 1.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.635 ' C ' ' O ' ' A' ' 25' ' ' THR . 4.2 p -16.14 -70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.044 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -38.85 -67.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 25' ' ' THR . 21.9 mm-40 -53.66 -28.96 36.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 1.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 34' ' ' CYS . 6.9 t -90.69 3.49 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.347 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -138.94 31.67 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 32' ' ' SER . 87.2 m -133.33 -109.78 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 31' ' ' THR . 18.9 m -96.33 31.81 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 1.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.13 -90.33 1.39 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.455 1.097 . . . . 1.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 29' ' ' CYS . 8.4 m -155.47 -155.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 m -95.23 162.47 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 108.359 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.648 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 17.6 t80 -144.1 79.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 22.9 t70 -99.15 93.01 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -82.7 -8.51 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.4 mt-30 -54.66 -14.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.56 93.42 19.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.4 Cg_endo -74.97 138.27 22.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 1.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.43 -29.82 11.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -102.45 175.69 2.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 0.723 . . . . 1.0 109.261 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.0 122.32 7.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.568 1.825 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 13.6 m0 -77.16 -44.47 30.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' SG ' ' CD1' ' A' ' 36' ' ' PHE . 62.8 m -88.74 103.91 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 1.0 108.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -135.22 -175.7 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -94.78 129.96 34.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.499 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -74.94 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 1.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.1 pp -136.8 60.23 28.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.09 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 1.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -142.76 -153.27 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.486 ' O ' ' O ' ' A' ' 52' ' ' ALA . 77.1 mm-40 -50.91 -169.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.254 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -48.34 -17.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.572 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -54.13 -162.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 110.076 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 59' ' ' VAL . 17.0 tt0 -153.12 -43.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.38 20.69 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.0 110.281 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.572 ' SG ' ' CB ' ' A' ' 55' ' ' SER . 55.7 m -87.56 -4.96 58.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 1.0 108.263 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.601 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.3 t -63.59 124.08 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.69 ' HE2' ' CD2' ' A' ' 96' ' ' PHE . 3.6 mtm -164.74 128.92 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' SER . 7.3 mt-30 -68.55 162.83 24.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 63' ' ' SER . 11.6 p -62.4 82.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 1.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 p 158.16 -24.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 60' ' ' MET . . . -83.08 -18.74 38.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -50.4 179.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.582 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tttm -131.21 -21.62 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 86.42 84.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 1.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.8 t -122.81 -168.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 108.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.68 -173.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 1.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -132.33 168.61 16.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 1.0 111.038 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 60.37 5.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 1.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.1 -39.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.451 1.095 . . . . 1.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 78' ' ' CYS . 13.3 tt -47.03 162.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 1.0 109.399 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -107.11 -178.75 0.62 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 1.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -75.03 -71.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.426 1.751 . . . . 1.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 35.2 mt-10 -59.83 -12.81 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.1 m-20 -90.04 -53.11 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.539 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 53.4 t -47.0 -57.26 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 1.0 108.26 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.38 19.57 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 77' ' ' ASP . 13.4 mmm180 -130.65 -47.03 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.679 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.9 p30 150.84 117.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 1.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.679 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 61.3 m 104.95 152.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 1.0 108.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.705 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.3 m -76.84 166.61 23.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 108.356 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.617 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 18.7 t80 -142.28 106.14 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.504 1.128 . . . . 1.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 t -137.31 88.84 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.0 110.049 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.598 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -73.57 -2.87 24.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 87' ' ' ASP . 6.8 t -32.39 -37.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.509 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.2 mp -114.37 108.92 49.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 1.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 144.31 29.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 1.0 110.979 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER 86.22 33.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.533 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -153.45 172.98 5.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 32.7 m0 -56.69 -35.09 68.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 1.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 63.4 m -93.41 98.86 11.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.69 ' CD2' ' HE2' ' A' ' 60' ' ' MET . 11.4 p90 -116.32 -169.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 31.9 m-85 -107.73 145.9 32.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.79 39.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 1.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.405 ' SD ' ' SD ' ' A' ' 60' ' ' MET . 20.6 ptm -145.84 163.19 35.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 1.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.8 79.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.559 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -52.79 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.559 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER 90.9 56.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 110.257 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -177.02 37.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 1.5 m -96.73 -69.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 104' ' ' CYS . 2.7 p80 51.04 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 1.0 109.542 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.645 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 53.5 m-85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 1.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.324 -0.25 . . . . 1.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.624 ' HB3' ' OH ' ' A' ' 106' ' ' TYR . 2.8 mttt 62.62 143.11 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 1.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.449 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.96 -55.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 1.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 7' ' ' ARG . . . 167.4 112.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.228 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 104' ' ' CYS . . . -56.27 -12.95 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 104' ' ' CYS . 1.7 m -61.37 -54.6 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 108.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -84.93 42.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 1.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 2.8 m -146.28 -46.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.476 ' OG ' ' C ' ' A' ' 104' ' ' CYS . 28.7 p -105.9 65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' GLN . 2.6 tpp180 177.54 -31.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.354 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.672 ' O ' ' O ' ' A' ' 10' ' ' ARG . 13.8 tt0 -29.92 -105.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.565 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 4.3 t70 -153.81 145.91 17.09 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.76 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.01 49.58 2.3 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.481 1.779 . . . . 1.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.76 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 14.8 ttpp 132.21 99.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 1.0 109.339 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.649 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -137.3 1.39 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 48.82 61.89 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 1.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.649 ' CG2' ' HB3' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -128.82 42.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 109.232 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 44' ' ' PRO . 64.6 t30 -56.7 144.35 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 40.7 t -141.23 15.47 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 108.232 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . -152.77 -150.31 5.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.115 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.613 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -129.2 162.44 52.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 1.0 110.908 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.17 9.22 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 1.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.56 10.51 28.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.404 1.065 . . . . 1.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 21' ' ' PHE . 1.9 tt -67.96 -176.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 1.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 33.5 p -137.16 28.57 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 110.474 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.611 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . 24.4 p 65.82 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.492 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -41.85 -66.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -49.7 -22.26 1.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -86.88 -34.71 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 4.7 m-85 -82.25 33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 32' ' ' SER . 86.6 m -75.64 18.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 1.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 80.16 0.27 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.86 -53.5 1.03 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 1.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' CYS . 47.5 m -121.25 168.63 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.3 m -116.45 164.93 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 26' ' ' SER . 17.9 t80 -150.62 120.84 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 1.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.637 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -122.08 -75.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.641 ' HB3' ' CD2' ' A' ' 45' ' ' TRP . 4.0 m 97.73 52.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -85.79 -16.39 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.49 ' O ' ' NE1' ' A' ' 45' ' ' TRP . 29.1 t -125.39 116.34 25.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.12 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 1.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.59 -53.59 0.6 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 1.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.725 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.1 m -67.4 176.79 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.725 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.99 117.6 4.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.441 1.758 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.641 ' CD2' ' HB3' ' A' ' 38' ' ' SER . 36.9 m0 -78.38 -31.25 48.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 108.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.4 m -87.46 108.77 19.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 108.383 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -131.44 -162.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.601 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -91.42 150.56 41.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.702 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 57.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 1.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.702 ' C ' ' O ' ' A' ' 49' ' ' PRO . 6.9 tt -7.61 77.04 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.688 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 1.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 173.74 124.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 85' ' ' PHE . 7.6 mm100 65.35 160.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.86 -3.26 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -94.45 173.25 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 1.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE2' ' NH1' ' A' ' 7' ' ' ARG . 3.0 mt-10 -121.28 4.49 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.12 -17.99 11.78 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.457 1.098 . . . . 1.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 37.8 m -83.94 5.75 24.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 1.0 108.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG12 ' HD2' ' A' ' 7' ' ' ARG . 1.4 t -75.19 121.44 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.704 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 3.1 ptp 177.75 156.74 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 1.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 8.2 mp0 -83.73 165.46 18.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 40.7 t -49.77 -22.79 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' GLN . 32.6 t -98.12 51.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.511 ' HB2' ' CG ' ' A' ' 60' ' ' MET . . . -148.91 -51.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.546 ' HG3' ' CG ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -38.82 159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 1.0 110.347 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -122.53 39.39 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 1.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.487 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 5.2 p-10 36.14 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 2.7 t -118.78 -179.92 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.175 . . . . 1.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.13 -166.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.423 1.077 . . . . 1.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.6 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -129.75 166.7 24.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 1.0 111.066 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.7 7.42 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.458 1.767 . . . . 1.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.7 -9.82 34.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 1.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.567 ' HB ' ' CE2' ' A' ' 70' ' ' TYR . 8.1 tt -80.03 162.35 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.744 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.72 -179.96 0.86 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 1.0 109.972 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.97 -74.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 1.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 11.8 mt-10 -56.53 -14.56 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 81' ' ' ARG . 4.1 m-20 -89.12 -51.17 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 50.4 t -46.5 -57.5 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 1.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.38 97.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.4 20.11 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.248 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 77' ' ' ASP . 40.3 mmt-85 -131.79 -48.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.692 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.7 p30 150.4 114.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.692 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.0 m 108.13 148.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 1.0 108.367 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.695 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 88.0 m -72.86 170.48 14.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 1.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.8 t80 -143.57 106.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.5 t -134.07 86.36 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.642 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -75.4 0.28 17.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 87' ' ' ASP . 7.6 t -30.22 -38.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 1.0 110.37 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.1 mp -121.16 133.67 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.95 149.06 36.38 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.469 1.773 . . . . 1.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.6 mt-10 87.61 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' A' ' 91' ' ' GLU . 14.7 m -38.93 162.68 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 67' ' ' ASN . 18.4 Cg_endo -74.95 90.38 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.558 1.82 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.642 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -48.81 -42.12 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 1.0 108.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.695 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.8 m -94.2 113.65 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.704 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 4.1 p90 -127.87 -170.65 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.633 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 93.4 m-85 -105.18 129.76 24.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.02 107.57 2.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.47 1.774 . . . . 1.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 ptm 169.98 -172.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.12 114.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.056 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' ASP . 0.7 OUTLIER -161.17 -104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.26 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 38.77 29.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.247 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' ' CZ ' ' A' ' 10' ' ' ARG . 1.6 p-10 -169.53 31.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 1.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.596 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 89.1 m -98.46 -25.34 14.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 104' ' ' CYS . 0.6 OUTLIER -30.97 148.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 1.0 109.618 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.731 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 56.1 m-85 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 1.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 30' ' ' PHE . 2.1 pt-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.259 -0.274 . . . . 1.0 110.259 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 4' ' ' ALA . 10.3 mttt -141.86 156.45 65.61 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.547 1.155 . . . . 1.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' O ' ' HD2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.07 30.56 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . 78.77 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 1.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.728 ' HB1' ' CZ ' ' A' ' 106' ' ' TYR . . . -97.79 -5.96 33.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 74.4 m -77.83 -4.11 44.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 108.322 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.512 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -121.29 30.96 6.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 110.326 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 1.5 m -138.68 -51.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' A' ' 105' ' ' HIS . 77.1 p -90.57 -2.31 57.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 110.003 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -109.87 -3.36 16.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 110.255 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.621 ' OE1' ' CD1' ' A' ' 47' ' ' PHE . 4.1 mt-30 -60.74 -134.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 2.7 t70 -126.63 146.69 57.82 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 1.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.631 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.03 81.6 2.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.599 1.842 . . . . 1.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.631 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 98.59 100.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -137.64 -45.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER 88.57 -157.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 18' ' ' ASN . 8.8 t 74.11 42.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 17' ' ' VAL . 4.4 t-20 -31.02 143.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.428 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 3.3 t -128.33 44.1 3.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 1.0 108.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.27 -124.41 0.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 1.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HG13 ' A' ' 24' ' ' ILE . 53.0 p90 -174.73 162.99 2.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 1.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 108.59 2.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.58 -1.06 11.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 1.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' CE1' ' A' ' 21' ' ' PHE . 6.3 tt -53.76 165.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.771 ' O ' ' N ' ' A' ' 27' ' ' ASP . 8.7 p -135.99 68.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.778 ' O ' ' N ' ' A' ' 29' ' ' CYS . 91.4 p 41.23 -78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.034 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 25' ' ' THR . 11.2 t0 -29.69 -70.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.37 -26.35 12.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 1.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.778 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.7 t -96.25 4.94 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.605 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -138.6 30.34 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.8 m -129.62 -108.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 1.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 p -94.76 31.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.03 -96.5 1.71 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.464 1.103 . . . . 1.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.596 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.3 m -151.83 -156.47 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.83 166.81 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.398 1.061 . . . . 1.0 108.231 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.605 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 29.9 t80 -149.37 80.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 23.5 t70 -99.6 98.17 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.687 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 29.8 t -89.97 -8.26 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 1.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.532 ' NE2' ' NE2' ' A' ' 105' ' ' HIS . 3.5 mt-30 -49.53 -17.07 0.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 38' ' ' SER . 85.0 t -110.09 99.76 40.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 139.36 24.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 1.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.45 -34.25 5.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 1.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -95.98 171.49 6.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 1.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 Cg_endo -74.97 120.19 5.97 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.527 1.804 . . . . 1.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.687 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 12.8 m0 -73.97 -44.17 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 49.7 m -86.94 112.53 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.621 ' CD1' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -146.97 -177.44 5.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 1.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -85.75 133.98 40.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.499 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.5 Cg_endo -74.96 -175.58 2.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 1.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 6.8 mt -135.16 60.85 42.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 -170.37 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.483 1.78 . . . . 1.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' O ' ' C ' ' A' ' 53' ' ' GLN . . . -171.83 -160.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 109.353 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 55' ' ' SER . 25.7 mm100 -28.99 147.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.39 61.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.628 ' N ' ' O ' ' A' ' 53' ' ' GLN . 66.8 m -163.29 107.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 1.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 1.4 tm-20 -58.46 96.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 1.5 pt-20 172.33 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 1.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.597 ' O ' ' C ' ' A' ' 59' ' ' VAL . 62.6 m -80.59 -37.41 31.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 108.26 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 58' ' ' CYS . 1.1 t -23.95 123.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.744 ' HE1' ' CE2' ' A' ' 96' ' ' PHE . 5.7 ptp 179.65 167.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 4.9 mt-30 -85.57 166.23 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -65.15 -9.57 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -109.76 -1.41 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -83.96 -21.74 31.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 1.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' HG2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -74.06 163.53 27.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HG2' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -143.98 14.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 4.0 t-20 59.8 125.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.03 -43.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 108.247 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.72 -152.58 27.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 1.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -130.76 169.46 13.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 1.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.02 6.3 3.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 1.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.08 -34.62 4.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.576 1.172 . . . . 1.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 78' ' ' CYS . 13.4 tt -54.71 163.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.561 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -103.57 -178.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 1.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.98 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -71.15 -35.85 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 110.259 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 81' ' ' ARG . 84.0 m-20 -65.31 -49.14 70.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 1.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.505 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 52.2 t -53.27 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.8 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.274 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -76.89 -0.72 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.7 mmt-85 -101.84 -52.33 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 110.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.745 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER 148.66 113.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 1.0 109.274 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.745 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.2 m 118.23 164.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 108.394 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.739 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 84.5 m -82.21 163.1 22.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 108.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.656 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 34.6 t80 -142.94 94.45 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -124.43 94.91 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.602 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.0 p-10 -84.08 -4.07 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 89' ' ' ILE . 9.2 t -32.17 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -116.13 106.51 49.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.646 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 141.56 26.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.646 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 95.64 25.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.502 ' CG1' HG23 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -149.29 172.97 4.61 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 1.0 109.374 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HG2' ' CG ' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -74.94 101.29 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.522 1.801 . . . . 1.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.602 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -70.73 -40.84 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.652 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 87.9 m -88.56 94.42 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 108.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.744 ' CE2' ' HE1' ' A' ' 60' ' ' MET . 25.7 p90 -119.24 166.92 12.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 68' ' ' CYS . 6.7 m-85 -81.85 143.03 49.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 1.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 106.66 2.32 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.56 1.821 . . . . 1.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.2 mmt -63.88 -94.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.27 -178.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.406 ' CG1' ' SG ' ' A' ' 6' ' ' CYS . 3.1 m -137.38 -111.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 1.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 51.75 40.37 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 1.0 110.311 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -169.6 29.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' ALA . 1.2 m -102.49 156.5 17.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 108.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 1.4 p-80 -164.05 161.3 22.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 1.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.728 ' CZ ' ' HB1' ' A' ' 5' ' ' ALA . 16.7 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.281 -0.266 . . . . 1.0 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 103.0 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 1.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' HB1' ' NH1' ' A' ' 7' ' ' ARG . . . -70.52 -144.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.482 ' HB2' ' C ' ' A' ' 104' ' ' CYS . . . -122.07 -37.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 m -68.18 -10.37 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 1.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.493 ' NH1' ' HB1' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -86.23 7.2 26.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 10' ' ' ARG . 1.6 m -136.18 -56.93 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 1.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' OG ' ' A' ' 9' ' ' SER . 5.9 p -51.58 86.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 1.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 72.89 26.14 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.256 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.614 ' NE2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -29.25 -65.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 2.9 t70 -118.17 146.29 38.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.05 61.84 5.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.443 1.759 . . . . 1.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 83.83 101.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' CG ' ' CG ' ' A' ' 12' ' ' ASP . 5.2 m-20 -114.07 -26.89 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.1 7.03 5.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 1.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.43 142.78 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 20' ' ' GLY . 4.1 t-20 -122.31 149.97 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 t -130.39 47.22 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . 174.07 -144.8 7.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.62 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -134.84 162.41 57.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 1.0 111.006 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.73 8.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.19 10.13 24.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.107 . . . . 1.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 ' CE1' ' A' ' 21' ' ' PHE . 5.4 tt -68.2 171.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASP . 16.1 p -128.82 35.09 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.633 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 24.7 p 65.36 -70.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 1.0 109.94 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 26' ' ' SER . 13.6 m-20 -39.83 -69.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -45.41 -25.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 110.265 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -84.83 -45.08 12.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 1.0 108.328 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.646 ' HE2' ' CZ ' ' A' ' 106' ' ' TYR . 4.8 m-85 -69.45 -8.15 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.01 -9.66 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -99.43 15.75 25.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.56 6.91 72.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 1.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' CYS . 38.0 m -112.39 159.54 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -98.14 175.33 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.694 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 17.9 t80 -150.89 83.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 1.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 9.1 t70 -101.77 89.99 3.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.597 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -77.65 -11.8 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 7.2 mt-30 -49.26 -18.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.478 ' CG1' HG21 ' A' ' 43' ' ' VAL . 59.6 t -113.56 90.45 17.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -74.98 3.46 5.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 1.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -106.2 3.18 37.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.573 1.171 . . . . 1.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.642 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.3 m -146.5 -176.33 0.54 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 120.84 6.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 1.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.597 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 4.5 m0 -67.65 -52.93 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 107.977 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.5 m -89.25 113.16 24.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CD1' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -141.58 -170.4 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -99.64 126.7 36.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.523 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 -171.72 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.512 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -129.85 59.68 46.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 154.59 42.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -147.49 -174.0 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 1.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 55' ' ' SER . 3.7 mt-30 -37.3 158.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.88 59.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 1.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' GLN . 19.0 m -129.24 62.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 98.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 5.2 pt-20 -178.75 -35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.799 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.8 m -82.5 -104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.799 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER 34.93 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.735 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.6 ptp 178.49 153.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -64.28 166.69 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 1.0 110.358 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 92' ' ' VAL . 33.1 t -58.48 -35.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.16 16.19 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -115.67 -10.36 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -91.2 12.07 21.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 1.0 110.239 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ARG . 1.2 mttt 28.55 -107.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -178.61 89.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 1.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.605 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 26.3 t -97.46 -80.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 108.331 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -47.88 179.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.629 ' CE1' ' HB ' ' A' ' 73' ' ' ILE . 14.7 p90 -120.74 169.31 9.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 1.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -74.95 79.3 2.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 1.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.554 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 167.24 -28.19 0.17 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 1.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.629 ' HB ' ' CE1' ' A' ' 70' ' ' TYR . 14.3 tt -59.72 160.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 0.749 . . . . 1.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.604 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -111.52 -176.65 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 74' ' ' SER . 18.4 Cg_endo -74.93 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.56 1.821 . . . . 1.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 3.3 mt-10 -61.09 -11.11 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 1.0 110.217 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.535 ' HB3' ' CD ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.0 -54.67 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 1.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 74' ' ' SER . 4.3 t -43.0 -56.14 3.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.082 . . . . 1.0 108.327 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -90.36 25.35 2.26 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -147.61 -50.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.713 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.5 p30 146.91 118.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 1.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.713 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.6 m 110.28 147.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 108.373 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.823 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 5.5 m -78.79 169.94 17.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 1.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CG ' ' HA ' ' A' ' 75' ' ' PRO . 10.5 t80 -145.33 101.6 3.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.3 t -131.81 87.46 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.598 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -76.07 -2.41 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 87' ' ' ASP . 8.4 t -32.17 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.527 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.2 mp -115.3 107.82 48.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 1.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.6 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.99 137.69 22.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.774 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 1.6 pt-20 93.42 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 1.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.1 m -153.72 178.01 1.76 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -75.02 95.6 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 1.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.0 m0 -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 1.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.823 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 18.3 m -99.16 127.59 45.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.735 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 1.0 OUTLIER -134.52 -166.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.605 ' CD1' ' SG ' ' A' ' 68' ' ' CYS . 41.3 m-85 -103.22 113.49 65.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 1.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.6 Cg_endo -74.95 107.08 2.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 162.09 -176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 110.947 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 p 67.51 110.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 102' ' ' GLU . 5.8 m -156.39 -117.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 101' ' ' VAL . 22.6 tt0 33.49 80.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 20.9 p-10 169.01 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.482 ' C ' ' HB2' ' A' ' 5' ' ' ALA . 10.2 m -73.85 142.61 46.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.307 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.408 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 11.7 p-80 -166.7 -148.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.655 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.646 ' CZ ' ' HE2' ' A' ' 30' ' ' PHE . 10.4 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 1.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.321 -0.251 . . . . 1.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.687 ' NZ ' ' CE2' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -134.59 143.82 48.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.515 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.3 Cg_endo -75.04 -61.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.436 1.756 . . . . 1.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.532 ' CA ' ' HH ' ' A' ' 106' ' ' TYR . . . 162.36 110.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 109.232 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.658 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . . . -53.38 -22.95 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.447 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 58.0 m -53.25 -56.98 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 1.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.613 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -89.37 44.19 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 33.6 m -149.82 -46.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -83.14 44.28 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 61' ' ' GLN . 5.8 ttt180 177.12 28.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.701 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -51.57 -88.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 110.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.567 ' CB ' ' ND2' ' A' ' 15' ' ' ASN . 6.3 t0 -153.69 144.72 16.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.5 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.628 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.5 mtpp 153.86 104.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.567 ' ND2' ' CB ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -128.84 -39.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.44 0.58 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG13 ' NZ ' ' A' ' 48' ' ' LYS . 3.5 t -103.62 138.6 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.494 ' CA ' ' O ' ' A' ' 46' ' ' CYS . 2.5 p30 -138.93 156.96 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 1.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.532 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 35.8 t -118.93 38.96 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 1.0 108.283 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.47 -147.22 6.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 1.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -130.07 162.75 52.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.806 . . . . 1.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 1.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.87 8.1 23.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.576 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 4.5 tt -62.69 169.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.1 p -118.18 25.53 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 110.46 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.692 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 21.7 p 66.34 -69.0 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' OG ' ' A' ' 26' ' ' SER . 26.2 m-20 -41.33 -66.34 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -48.31 -23.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -84.68 -38.61 19.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.0 108.376 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 7.8 m-85 -71.8 -17.46 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.96 -5.69 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 1.0 110.347 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -96.4 20.9 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.069 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.54 6.11 53.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m -115.09 177.79 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -118.32 172.11 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 108.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CB ' ' A' ' 26' ' ' SER . 19.4 t80 -147.67 98.05 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 1.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 14.4 t70 -120.18 92.32 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.698 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 48.1 t -84.68 -6.33 59.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 1.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -49.6 -17.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.0 110.231 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' A' ' 43' ' ' VAL . 73.7 t -112.7 95.63 33.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.209 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 138.58 23.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 1.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.05 59.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 1.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -128.25 177.33 2.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 1.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 16.3 m0 -77.44 -49.49 14.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.031 -1.1 . . . . 1.0 108.031 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 1.7 m -89.07 115.2 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 1.0 108.281 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.701 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -136.68 -166.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.666 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.62 117.28 51.1 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.0 Cg_endo -75.09 -177.59 3.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.483 1.78 . . . . 1.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.594 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -125.61 69.56 63.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 1.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.03 141.0 26.02 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 1.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -119.26 -177.0 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' ALA . 8.5 mt-30 -39.6 164.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 1.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -59.94 -6.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 53' ' ' GLN . 35.4 m -53.41 -38.17 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 1.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 45.27 52.03 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 1.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.33 -32.14 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 1.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 59' ' ' VAL . 88.3 m -83.64 -94.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.63 ' O ' ' O ' ' A' ' 58' ' ' CYS . 1.0 OUTLIER 51.54 121.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.653 ' HE2' ' CD2' ' A' ' 96' ' ' PHE . 1.1 mtm 158.18 138.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.594 ' OE1' ' CD2' ' A' ' 50' ' ' LEU . 6.4 mm-40 -85.81 166.84 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 1.0 110.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.503 ' CG1' HG22 ' A' ' 89' ' ' ILE . 20.6 m -56.89 -16.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.67 10.57 40.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 1.0 110.029 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' CB ' ' HG2' ' A' ' 60' ' ' MET . . . -114.09 -29.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.79 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -156.23 -68.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.5 t-20 149.93 108.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 2.3 t -122.21 -75.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 108.315 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -57.46 -170.27 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 1.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD1' ' HB ' ' A' ' 73' ' ' ILE . 6.8 p90 -124.06 165.54 23.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 1.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 86.16 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 1.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.496 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 157.42 -23.81 0.44 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 70' ' ' TYR . 5.1 tt -54.21 175.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.754 . . . . 1.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -122.21 179.91 0.9 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.95 -57.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 1.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -76.07 -12.38 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 1.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -90.29 -48.35 7.2 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.489 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 54.1 t -52.43 -62.04 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.02 76.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 1.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -80.5 8.42 7.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.642 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.4 mmm180 -114.33 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 1.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.735 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER 144.13 113.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.735 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.1 m 117.19 153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.656 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 30.8 m -72.05 164.03 26.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 1.0 108.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 36.7 t80 -141.15 99.35 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.3 t -121.4 94.88 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 110.03 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.65 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.1 p-10 -90.26 -4.12 57.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 89' ' ' ILE . 9.0 t -33.92 -34.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 1.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.512 HG23 ' CG1' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -119.48 111.36 36.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.93 138.65 23.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.418 1.747 . . . . 1.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.1 mt-10 93.93 34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.567 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 2.1 m -152.95 172.24 5.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.567 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.97 89.72 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 1.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 38.1 m0 -59.86 -38.62 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 1.0 108.021 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.656 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 88.1 m -93.8 103.31 15.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.653 ' CD2' ' HE2' ' A' ' 60' ' ' MET . 7.8 p90 -121.01 -170.63 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 74.9 m-85 -95.94 158.1 34.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 1.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' MET . 18.4 Cg_endo -74.99 -9.6 20.86 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.479 1.779 . . . . 1.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PRO . 0.2 OUTLIER 37.31 -150.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 101' ' ' VAL . 7.0 t -142.29 177.17 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 102' ' ' GLU . 5.0 m -111.74 -116.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 17.4 pt-20 33.98 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 1.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER 153.95 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 6.3 m -55.81 -80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 104' ' ' CYS . 2.4 p80 54.52 154.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.687 ' CE2' ' NZ ' ' A' ' 2' ' ' LYS . 99.1 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' OH ' ' A' ' 106' ' ' TYR . 2.2 tmtm? -117.84 103.47 50.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 1.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.4 Cg_endo -74.99 -154.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' ' HE1' ' A' ' 106' ' ' TYR . . . -97.65 -137.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.379 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.697 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . . . -133.95 -44.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -47.89 -34.93 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 108.362 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.568 ' NE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -87.01 27.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 110.35 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.9 m -149.79 -50.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 p -88.72 22.24 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 1.0 110.063 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -157.59 24.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 1.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.517 ' OE1' ' CG ' ' A' ' 47' ' ' PHE . 4.5 mt-30 -60.81 -141.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.537 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 3.5 t70 -99.06 147.01 32.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -75.01 68.12 5.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mttt 80.39 101.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.3 m-20 -123.36 -26.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 89.57 27.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.0 110.315 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG2' ' HB3' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -103.22 133.89 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 5.9 p30 -129.36 147.87 51.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -139.57 43.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.41 -141.67 3.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 24' ' ' ILE . 54.3 p90 -137.85 159.65 67.87 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.52 2.94 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 1.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.9 3.66 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.075 . . . . 1.0 111.036 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.556 HD13 ' CE2' ' A' ' 21' ' ' PHE . 10.0 tt -61.8 166.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 1.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.613 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 11.6 p -107.3 -52.92 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 1.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 2.8 p 156.12 -67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.37 -56.16 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -54.38 -25.97 27.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -83.78 -31.94 25.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 3.4 m-85 -81.1 -10.41 59.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -104.2 -9.99 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.73 7.88 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 1.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.9 14.79 80.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 1.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 73.3 m -115.25 -177.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -120.2 174.82 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 1.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 25' ' ' THR . 2.5 t80 -150.46 136.06 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.669 ' OD2' ' HB2' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -129.06 -77.44 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.813 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 32.9 t 79.34 -18.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 1.0 109.962 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.669 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 7.1 mt-30 -44.17 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 1.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 ' CG1' HG23 ' A' ' 43' ' ' VAL . 71.5 t -116.07 125.74 28.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.32 32.75 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 1.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 81.77 -68.28 3.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 1.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.559 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 2.6 m -45.04 169.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.04 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.591 1.837 . . . . 1.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.813 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 27.2 m0 -68.55 -50.24 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 1.7 m -89.61 129.33 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 1.0 108.276 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CG ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -147.32 -166.98 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -108.99 139.42 20.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.241 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.666 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.97 173.64 14.15 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 1.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.506 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 pp -122.29 59.94 12.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.1 Cg_endo -75.04 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.455 1.766 . . . . 1.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.37 131.07 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 63.45 166.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 110.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -4.73 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.64 161.21 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 95.2 mt-10 -133.23 101.73 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 3.7 pt-20 170.04 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.4 m -81.72 3.95 23.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.538 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 1.7 t -75.53 131.25 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.714 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 6.4 ptp 176.29 156.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 1.2 mt-30 -79.84 166.5 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' NH1' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.08 -19.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 1.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -100.66 48.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.537 ' O ' ' O ' ' A' ' 65' ' ' ARG . . . -148.62 -38.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 64' ' ' ALA . 5.3 ptt180 -48.27 -172.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 1.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 11.3 mtpp -143.57 -91.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 2.4 m-80 156.67 89.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 25.1 t -110.24 -94.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . -38.86 168.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.554 1.159 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -110.1 172.99 3.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 1.0 111.007 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.5 Cg_endo -74.98 49.01 2.13 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.454 1.765 . . . . 1.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.25 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 78' ' ' CYS . 13.2 tt -44.97 161.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 0.765 . . . . 1.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -105.65 -177.34 0.49 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.635 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.03 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 3.1 mt-10 -61.1 -12.28 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 1.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.724 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -89.7 -53.09 4.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 1.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.572 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 43.3 t -48.09 -59.74 3.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.33 83.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 1.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -84.77 9.57 13.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 1.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -114.84 -45.9 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.711 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 7.9 p30 147.69 114.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 84.4 m 108.97 157.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.776 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 73.4 m -78.56 162.06 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 32.6 t80 -139.76 100.7 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 88' ' ' THR . 41.0 t -128.34 85.0 2.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 1.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.75 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 6.1 p-10 -70.43 -13.35 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.378 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.48 ' CG2' ' OG ' ' A' ' 86' ' ' SER . 8.8 t -34.97 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.491 HG23 ' CG1' ' A' ' 62' ' ' VAL . 3.4 mm -108.21 99.66 32.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.722 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.92 126.36 9.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 1.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.722 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 6.5 pt-20 109.68 15.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 4.4 m -137.57 167.63 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 1.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.75 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 23.7 m0 -48.04 -37.76 15.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 107.988 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.776 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 99.0 m -91.23 88.37 6.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.383 1.052 . . . . 1.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.714 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 9.0 p90 -112.29 173.64 6.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 1.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 68' ' ' CYS . 72.1 m-85 -96.38 123.24 55.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 1.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.484 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.03 107.9 2.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 1.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.55 ' O ' ' CB ' ' A' ' 100' ' ' SER . 1.4 tmt? 171.76 144.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.2 m 155.6 158.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 1.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -30.44 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.1 pt-20 93.55 23.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.368 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' CYS . 7.6 m-20 -61.57 -4.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.47 ' H ' ' C ' ' A' ' 102' ' ' GLU . 2.9 m -37.95 141.29 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 108.264 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.619 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 4.9 p-80 -139.4 -147.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.697 ' CE1' ' HB3' ' A' ' 5' ' ' ALA . 8.4 m-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.32 -0.252 . . . . 1.0 110.32 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 8.9 mttt -73.33 140.08 79.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.05 -40.85 0.76 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 1.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.607 ' O ' ' CB ' ' A' ' 5' ' ' ALA . . . 159.74 -34.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.849 ' HA ' ' CE1' ' A' ' 106' ' ' TYR . . . 92.27 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 1.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 96.0 m -61.11 -15.55 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' CG ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -114.7 39.64 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.931 ' HB2' ' HE1' ' A' ' 106' ' ' TYR . 4.2 m -150.27 -61.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 104' ' ' CYS . 86.1 p -66.49 -26.98 67.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 1.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -104.14 20.9 17.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 12.0 mm-40 -58.3 -108.29 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.493 1.12 . . . . 1.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 14' ' ' LYS . 9.5 t70 -152.28 145.92 17.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 1.0 109.381 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.6 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.483 1.78 . . . . 1.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.6 mttm 158.22 87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 4.4 m-20 -132.1 2.93 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 11.3 ptp180 43.48 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.52 ' CG1' ' NZ ' ' A' ' 48' ' ' LYS . 4.8 t 85.29 132.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 1.0 109.346 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 15.3 p-10 -131.78 147.77 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.557 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 41.3 t -138.66 61.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.22 -135.41 1.92 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.466 1.104 . . . . 1.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.576 ' CE1' HD11 ' A' ' 24' ' ' ILE . 51.7 p90 -154.05 162.07 27.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 1.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 107.49 2.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.428 1.751 . . . . 1.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.5 5.11 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 1.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 21' ' ' PHE . 5.9 tt -59.19 170.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.9 p -114.74 -55.28 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p 158.5 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' O ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -42.43 -58.58 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -52.86 -27.66 19.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 1.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.7 t -84.68 -30.22 24.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.868 ' CZ ' ' CD2' ' A' ' 106' ' ' TYR . 24.0 m-85 -89.09 0.18 56.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.407 1.067 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 12.2 m -106.18 -12.11 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -98.45 13.89 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.24 0.96 79.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -94.91 176.38 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 20.8 m -117.21 172.71 7.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 30.4 t80 -151.76 85.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.1 t70 -108.78 97.0 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.612 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 2.2 m -90.64 18.25 6.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.968 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.02 -14.72 17.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 43' ' ' VAL . 54.1 t -125.79 128.05 24.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.34 37.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 1.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 77.84 -69.12 2.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.443 1.089 . . . . 1.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.462 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m -42.39 164.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -75.01 117.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 1.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.612 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 15.4 m0 -78.31 -44.72 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 1.7 m -88.43 111.82 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -142.14 -157.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.705 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.15 137.72 23.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 1.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.1 Cg_endo -75.04 -173.09 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 1.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' H ' ' HB3' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -132.21 64.52 72.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.02 143.58 29.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 1.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.459 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . 176.17 47.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 12.3 mt-30 -161.14 140.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.13 52.08 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 m -165.57 -161.79 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -155.54 66.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 1.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -177.19 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 1.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.6 m -83.8 5.55 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 108.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG12 ' CG ' ' A' ' 7' ' ' ARG . 1.9 t -86.7 134.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.799 ' HE1' ' CD2' ' A' ' 96' ' ' PHE . 3.7 ptt? 179.25 179.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -78.33 149.66 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.595 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -43.01 -58.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 p -49.56 -31.23 10.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' GLN . . . -67.68 -9.4 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.595 ' CD ' ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -70.56 172.34 8.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 110.334 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -172.02 103.2 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 1.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 14.9 p-10 -37.63 120.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 97' ' ' PHE . 42.4 t -127.87 -3.72 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 1.0 108.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 82' ' ' ASN . . . -155.94 -155.02 7.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 1.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.699 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -122.59 160.06 50.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.995 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.11 -4.1 56.62 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.516 1.135 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.601 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 1.1 tt -81.15 165.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 0.744 . . . . 1.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -94.26 175.66 2.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 1.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.63 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -91.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 1.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -41.91 -29.35 0.21 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 1.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 4.7 m-20 -72.72 -45.43 58.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.728 ' O ' ' N ' ' A' ' 82' ' ' ASN . 5.4 t -52.91 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 108.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -43.42 -35.38 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.067 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' O ' ' CG ' ' A' ' 81' ' ' ARG . . . -95.09 35.11 1.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.599 ' N ' ' O ' ' A' ' 78' ' ' CYS . 44.3 mtt-85 -168.94 -38.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.728 ' N ' ' O ' ' A' ' 78' ' ' CYS . 1.7 m-80 -117.5 -110.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 60.4 m -135.27 -161.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.0 m -49.54 146.79 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.4 t80 -127.93 94.18 3.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 t -123.99 100.0 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 1.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.629 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 4.7 p-10 -85.93 -9.37 57.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 87' ' ' ASP . 2.6 t -31.28 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 1.0 110.451 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.495 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.1 mp -108.75 109.81 61.21 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.94 143.9 29.84 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.583 1.833 . . . . 1.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 12.4 mm-40 88.21 29.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 1.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' CG1' HG21 ' A' ' 89' ' ' ILE . 3.1 m -145.6 166.13 18.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 80.91 2.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.42 1.748 . . . . 1.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.629 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.2 m0 -45.23 -37.4 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.564 ' SG ' HG23 ' A' ' 73' ' ' ILE . 87.1 m -90.9 83.48 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 1.0 108.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.799 ' CD2' ' HE1' ' A' ' 60' ' ' MET . 38.9 p90 -114.16 158.93 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 68' ' ' CYS . 72.6 m-85 -68.62 150.61 97.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.76 19.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 1.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.472 ' SD ' ' CE ' ' A' ' 66' ' ' LYS . 6.0 tpt 45.59 -130.74 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t -137.14 156.7 48.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 1.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' ASP . 12.1 m -125.82 -119.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' VAL . 9.3 tt0 36.26 33.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 1.0 110.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.4 t0 -147.43 18.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.435 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 31.7 m -84.65 -82.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 1.0 108.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 106' ' ' TYR . 4.0 p-80 38.11 -153.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0 109.594 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.931 ' HE1' ' HB2' ' A' ' 8' ' ' CYS . 16.5 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.327 -0.249 . . . . 1.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -40.07 100.3 0.21 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.4 Cg_endo -74.98 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 1.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' HB1' ' NE ' ' A' ' 7' ' ' ARG . . . 172.12 132.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 109.242 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -22.0 65.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 109.371 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 37.9 m -56.12 -21.36 21.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 1.0 108.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.528 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -122.57 36.0 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 3.1 m -149.85 -70.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.1 p -57.57 -27.43 62.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 30.93 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' A' ' 50' ' ' LEU . 2.0 tp-100 -71.07 -125.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.473 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 3.9 t0 -142.82 138.68 16.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 1.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 45.96 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 1.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 159.55 102.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -132.9 -43.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . 1.4 mpp_? 61.2 58.13 2.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 1.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.9 t -150.54 39.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.484 ' OD1' ' CB ' ' A' ' 44' ' ' PRO . 5.8 t30 -35.25 149.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 1.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.75 35.0 3.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 108.325 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.91 -145.68 4.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 1.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.609 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -126.9 162.89 44.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 1.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -0.95 10.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.01 11.83 29.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 1.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.568 HD13 ' CE1' ' A' ' 21' ' ' PHE . 2.4 tt -69.91 177.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.9 p -125.73 -56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 5.8 p 161.97 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 110.083 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.7 -57.68 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 1.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -53.68 -26.47 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 110.297 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -82.72 -37.05 25.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 1.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.222 ' CD1' ' CE2' ' A' ' 106' ' ' TYR . 13.0 m-85 -80.36 -1.09 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m -120.34 -6.31 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -95.05 12.77 27.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 1.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.76 12.5 84.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' CYS . 67.5 m -121.9 179.38 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -116.67 172.08 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 1.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 16.4 t80 -149.44 98.01 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 1.2 t70 -119.25 100.53 7.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 1.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.581 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 1.3 m -93.35 27.42 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -68.57 -13.37 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 1.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' A' ' 43' ' ' VAL . 48.2 t -126.79 126.79 24.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.6 27.89 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.93 -70.33 2.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 1.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.462 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m -43.21 164.4 0.13 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.484 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . 18.2 Cg_endo -74.97 117.86 5.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 1.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 11.6 m0 -77.52 -41.35 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.485 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.5 m -89.14 109.75 20.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 1.0 108.245 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -138.44 -164.56 1.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -105.07 134.32 19.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 1.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.489 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 173.99 13.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 1.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' CD2' ' OE1' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -125.21 68.38 57.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.489 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.03 168.28 25.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 1.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.4 132.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 1.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 53' ' ' GLN . 2.0 mp0 59.29 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 1.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -73.3 -3.62 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 1.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.15 133.66 40.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 56.7 mt-10 -120.51 80.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 9.3 pt-20 166.34 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' SD ' ' A' ' 60' ' ' MET . 79.4 m -84.84 9.96 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 108.318 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.528 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 1.2 t -90.37 137.29 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.211 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.674 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -179.23 176.58 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 1.0 111.089 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 3.1 mt-30 -76.68 158.9 30.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 63' ' ' SER . 17.2 m -55.04 -35.3 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 62' ' ' VAL . 30.1 t -76.39 -21.8 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 1.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.522 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -70.86 -43.85 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.506 ' HG2' ' CG ' ' A' ' 60' ' ' MET . 0.3 OUTLIER -66.48 135.21 53.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 110.248 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 93' ' ' PRO . 0.3 OUTLIER -93.93 -107.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.49 93.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 8.7 t -123.56 67.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.03 -172.26 34.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -120.32 160.49 43.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 1.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.53 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.485 1.782 . . . . 1.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -162.73 -38.77 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 1.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.509 ' HB ' ' CE2' ' A' ' 70' ' ' TYR . 13.1 tt -39.67 159.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.38 179.21 1.0 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.901 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.6 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.99 -62.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 1.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 9.9 mt-10 -71.04 -8.61 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 4.1 m-20 -90.41 -52.85 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.48 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 14.1 t -52.66 -59.97 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 108.335 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -42.98 74.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 1.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -83.23 12.08 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.055 . . . . 1.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.613 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 5.0 mmt85 -120.33 -48.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 1.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER 145.79 114.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.723 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 113.45 150.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 108.28 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.581 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 72.9 m -71.45 165.16 24.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 20.5 t80 -142.69 104.55 4.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -127.57 84.73 2.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 110.065 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 88' ' ' THR . 17.8 p-10 -71.97 -4.76 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.0 109.298 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.583 ' C ' ' O ' ' A' ' 87' ' ' ASP . 3.6 t -22.96 -46.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 1.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.63 HG21 ' N ' ' A' ' 90' ' ' PRO . 1.5 mp -114.13 150.86 44.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 1.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.742 ' O ' ' N ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 1.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.738 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 4.0 pt-20 -47.91 75.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.742 ' N ' ' O ' ' A' ' 90' ' ' PRO . 6.1 m -171.31 161.82 5.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.446 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 18.6 Cg_endo -74.97 84.8 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.8 m0 -48.25 -36.96 14.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 94.8 m -101.93 126.04 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 6.7 p90 -139.52 -171.11 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 111.058 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 68' ' ' CYS . 78.9 m-85 -103.45 133.42 20.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.1 Cg_endo -75.03 169.11 23.32 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.557 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 85.5 -14.17 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 1.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -66.76 64.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.394 1.059 . . . . 1.0 109.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -171.44 -98.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 45.32 25.04 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' VAL . 0.9 OUTLIER -139.95 14.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -82.64 124.23 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 108.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -144.36 173.7 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 109.644 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 1.222 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 3.8 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.569 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 1.1 mttt -98.2 157.66 34.07 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 1.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.555 1.818 . . . . 1.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 1.185 ' CA ' ' OH ' ' A' ' 106' ' ' TYR . . . -175.32 -167.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HB2' ' CB ' ' A' ' 104' ' ' CYS . . . -131.19 -24.35 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.46 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 74.5 m -73.68 -3.17 26.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 108.308 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.603 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 9.4 mtt85 -125.06 22.29 7.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.7 m -151.46 -41.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.332 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.78 -58.77 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 1.0 110.032 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -86.56 15.2 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.1 pt20 -60.77 -159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.325 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 3.4 t70 -82.89 146.03 51.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.07 80.99 2.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 1.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.617 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 97.9 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 1.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -132.69 3.99 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.37 -153.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 1.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.422 HG13 ' CE ' ' A' ' 48' ' ' LYS . 2.6 t 65.86 132.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 1.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 23.9 t-20 -126.31 132.59 51.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 48' ' ' LYS . 52.5 t -129.24 65.52 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 108.363 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.06 -133.27 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.41 1.069 . . . . 1.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 52.8 p90 -166.95 163.0 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 1.0 110.997 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 107.18 2.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.99 4.24 10.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.437 1.086 . . . . 1.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 6.5 tt -59.03 166.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 1.0 109.238 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.5 p -128.93 39.89 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.626 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 25.1 p 63.77 -69.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 1.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.2 t70 -38.44 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -44.57 -23.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 1.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -88.34 -42.93 11.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 108.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' PHE . 7.5 m-85 -82.71 5.97 19.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.6 m -116.25 -12.61 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.36 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.2 p -100.27 7.23 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.32 14.32 66.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 1.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 m -109.96 160.5 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.79 174.09 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 108.247 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.631 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 8.1 t80 -149.8 107.38 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.4 t70 -132.93 92.33 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.67 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 3.0 m -88.82 43.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.95 -13.1 59.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 43' ' ' VAL . 13.2 t -135.47 111.91 10.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 109.218 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 1.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -115.45 4.37 21.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 1.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.597 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.0 m -137.79 169.78 12.15 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 0.727 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 121.71 6.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 1.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 3.7 m0 -77.18 -41.96 39.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.963 -1.125 . . . . 1.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' SG ' HD11 ' A' ' 24' ' ' ILE . 1.8 m -87.27 109.74 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 108.265 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CZ ' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -147.39 -153.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.675 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -121.29 154.57 58.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.514 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -75.06 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 1.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -121.37 71.04 24.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 1.0 109.231 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.01 -171.57 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 1.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.31 153.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 85' ' ' PHE . 0.7 OUTLIER 53.83 173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -10.07 25.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.84 174.84 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 110.052 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 7' ' ' ARG . 37.7 tp10 -124.69 -6.69 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.191 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -107.6 11.96 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -87.38 9.66 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 108.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.603 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 1.6 t -76.92 126.2 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.702 ' HE2' ' CD2' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -170.93 119.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 63' ' ' SER . 2.3 mp0 -64.77 161.02 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.514 ' O ' ' CB ' ' A' ' 63' ' ' SER . 30.0 m -57.82 79.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.5 m 157.72 -25.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.525 ' CB ' ' HG2' ' A' ' 60' ' ' MET . . . -82.63 -26.12 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 96' ' ' PHE . 19.3 mtt180 -68.51 110.8 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.583 ' HE2' ' CD2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -86.37 18.39 3.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 1.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 50.1 t30 57.67 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.647 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 44.8 t -159.63 162.43 35.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.19 -149.37 48.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.605 1.19 . . . . 1.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CE2' ' N ' ' A' ' 73' ' ' ILE . 34.6 p90 -123.18 162.97 36.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 79.87 2.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 1.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.11 -28.45 0.2 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.489 1.118 . . . . 1.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.559 ' N ' ' CE2' ' A' ' 70' ' ' TYR . 9.5 tt -44.81 161.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 1.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.652 ' O ' ' HB2' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -113.42 -177.16 0.42 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 1.0 109.989 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 -73.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -47.54 -21.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.57 -35.08 14.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.652 ' HB2' ' O ' ' A' ' 74' ' ' SER . 3.6 t -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.81 88.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 77' ' ' ASP . . . -61.49 -16.65 49.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.597 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -98.15 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 110.36 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 81' ' ' ARG . 8.1 m-20 148.01 55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 82' ' ' ASN . 93.8 m -160.98 146.96 14.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 108.399 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.854 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 81.2 m -83.13 132.81 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 108.372 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 9.3 t80 -118.22 105.8 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.4 t -131.07 78.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.609 ' HA ' ' CD1' ' A' ' 94' ' ' TRP . 1.4 p-10 -69.67 -5.75 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ASP . 10.7 t -36.12 -31.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -121.15 106.32 38.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.6 Cg_endo -74.95 143.99 29.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.8 mm-40 92.59 26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 1.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.461 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -152.03 171.34 6.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.94 103.47 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.609 ' CD1' ' HA ' ' A' ' 87' ' ' ASP . 36.5 m0 -69.3 -45.96 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.854 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 16.4 m -89.95 100.89 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 108.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.702 ' CD2' ' HE2' ' A' ' 60' ' ' MET . 5.0 p90 -122.26 -171.07 2.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 1.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.647 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 45.6 m-85 -106.17 144.26 28.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 1.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.2 ttm -94.84 159.72 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.9 t -98.91 165.31 11.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 1.0 109.937 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.442 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 2.2 m -59.73 -111.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 14.0 pt-20 43.17 73.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 1.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.3 p30 153.83 -26.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 5' ' ' ALA . 1.8 m -100.17 159.22 15.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 108.247 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.448 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 21.1 p80 -162.02 159.38 26.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.616 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 1.185 ' OH ' ' CA ' ' A' ' 4' ' ' ALA . 55.2 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 1.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.271 -0.27 . . . . 1.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 4.8 mttp -40.38 130.58 1.71 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.414 1.071 . . . . 1.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.798 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.95 165.2 31.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 1.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.44 141.61 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 1.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.434 ' HB2' ' N ' ' A' ' 105' ' ' HIS . . . -81.97 1.08 37.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.22 -2.56 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.725 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 2.2 mtp180 -119.97 -3.71 10.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 1.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.885 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.0 m -106.87 -37.4 6.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 1.0 108.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 8' ' ' CYS . 34.0 p -29.23 74.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.885 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.5 ttp-105 39.96 25.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 1.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 7.8 mp0 29.23 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 110.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.733 ' OD1' ' ND2' ' A' ' 15' ' ' ASN . 9.6 t70 -133.66 148.27 67.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.62 ' HD2' ' OD1' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -74.97 93.58 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 1.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.607 ' C ' ' ND2' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 95.21 68.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 1.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.733 ' ND2' ' OD1' ' A' ' 12' ' ' ASP . 6.1 m-80 -162.93 -40.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 1.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -40.04 115.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 1.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' O ' ' A' ' 18' ' ' ASN . 3.3 t -106.88 28.31 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.534 ' O ' ' O ' ' A' ' 17' ' ' VAL . 1.4 t-20 55.48 152.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 1.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 51.4 t -140.79 12.47 2.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.57 -140.36 3.3 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.503 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 1.6 p90 -122.54 161.21 44.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 1.0 110.975 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 108.91 2.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 1.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.49 -15.29 8.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.491 HD11 ' CE1' ' A' ' 21' ' ' PHE . 11.9 tt -41.82 159.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 0.797 . . . . 1.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 26' ' ' SER . 43.2 p -93.72 -104.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 1.0 110.357 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 61.7 p -149.47 -68.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 1.0 109.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -41.7 -61.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -51.3 -28.38 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 1.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' SER . 14.9 t -84.07 -37.09 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.871 ' CE1' ' HD2' ' A' ' 106' ' ' TYR . 7.7 m-85 -90.13 30.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 32' ' ' SER . 87.2 m -76.62 21.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER 78.54 0.96 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.957 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.81 -50.39 1.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.568 1.167 . . . . 1.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 37.5 m -130.45 175.83 8.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.5 m -112.64 164.34 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 108.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 40.3 t80 -144.67 103.88 3.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.673 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -98.4 -61.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.597 1.186 . . . . 1.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.666 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.2 72.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 1.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.0 mt-30 -131.53 -4.01 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.493 ' HB ' ' CG2' ' A' ' 43' ' ' VAL . 15.4 t -127.3 117.21 21.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 85.26 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.468 1.773 . . . . 1.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.58 -61.55 0.34 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.576 1.172 . . . . 1.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.683 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 29.2 m -63.24 169.91 3.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.453 0.737 . . . . 1.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.683 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.91 115.9 4.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.788 . . . . 1.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.666 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 30.9 m0 -68.03 -47.48 68.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 1.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 2.5 m -87.51 106.47 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.648 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -126.78 -169.75 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.647 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -79.5 149.16 71.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.736 ' O ' ' N ' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.01 50.25 2.48 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.709 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.5 OUTLIER 2.45 65.46 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.736 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.97 177.35 8.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 1.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -162.11 -157.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 1.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' O ' ' O ' ' A' ' 52' ' ' ALA . 20.5 mm100 -37.44 161.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 1.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -52.64 -14.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 53' ' ' GLN . 7.3 m -66.81 175.35 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.2 mt-10 -148.66 77.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.6 pt-20 163.58 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 60.2 m -83.01 3.03 31.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 108.336 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.594 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 1.5 t -75.06 117.85 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.623 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 31.8 mtm -157.16 171.08 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 2.8 mt-30 -83.16 160.1 21.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 63' ' ' SER . 3.0 m -48.08 -51.97 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.505 ' N ' ' CG2' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -63.12 -24.82 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 109.98 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.524 ' CB ' ' HB3' ' A' ' 60' ' ' MET . . . -72.26 -56.29 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 60' ' ' MET . 1.6 mtt180 -55.5 119.01 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' PRO . 6.5 tptt -78.96 -111.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 5.9 t-20 -169.07 123.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' CYS . 42.9 t -121.01 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 1.0 108.352 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.28 -152.72 0.27 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.538 1.149 . . . . 1.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 19.1 p90 -123.79 160.81 49.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.4 0.706 . . . . 1.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 1.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.24 -15.0 2.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.596 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 4.2 tt -61.25 165.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 109.353 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.622 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -117.78 -175.57 0.33 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 74' ' ' SER . 18.5 Cg_endo -74.93 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 1.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 10.7 tm-20 66.38 -58.13 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 1.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' PRO . 28.4 m-20 -66.99 -26.64 66.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.64 ' SG ' ' CD1' ' A' ' 85' ' ' PHE . 35.2 t -69.16 -71.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -49.0 -31.7 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.55 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -44.07 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.55 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.22 46.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.336 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.623 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 12.5 m120 -138.4 17.56 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.659 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 25.6 m 73.75 -165.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 68.7 m -59.27 162.22 4.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 1.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' ' SG ' ' A' ' 78' ' ' CYS . 11.2 t80 -142.64 105.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.2 t -131.84 88.61 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.955 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.66 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -73.59 -8.97 58.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' ASP . 10.1 t -34.93 -34.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.523 ' CG2' HG12 ' A' ' 92' ' ' VAL . 4.2 mm -106.82 101.68 38.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 1.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.08 140.21 24.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 1.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.476 ' C ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 mt-10 85.06 32.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.548 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -153.23 179.1 1.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.31 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.548 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.02 106.33 2.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.66 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 46.2 m0 -75.12 -40.98 59.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.498 ' SG ' ' CG2' ' A' ' 73' ' ' ILE . 75.2 m -91.11 93.97 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.623 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 30.8 p90 -115.24 167.52 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 1.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.659 ' CD1' ' SG ' ' A' ' 83' ' ' CYS . 68.9 m-85 -85.05 142.47 38.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.1 Cg_endo -75.04 -8.02 19.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 1.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.3 ptt? -75.26 149.92 38.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 99' ' ' MET . 2.1 p 153.17 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 1.0 109.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.598 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -35.58 -90.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 2.9 mm-40 94.77 12.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.0 p-10 -101.65 17.68 22.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -39.56 151.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -142.34 165.37 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.596 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.871 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 39.6 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 2' ' ' LYS . 9.5 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.329 -0.248 . . . . 1.0 110.329 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 1' ' ' GLU . 6.7 tttt 68.22 92.2 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 1.0 109.274 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -74.96 -179.47 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 1.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 106' ' ' TYR . . . -59.92 -117.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' CYS . . . -158.07 -42.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 1.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -54.49 -16.93 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 1.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.6 ptm180 -102.69 22.72 13.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.8 m -150.59 -39.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 108.267 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.541 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 57.6 p -52.76 -114.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 109.957 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.612 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -75.8 -0.99 22.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.612 ' C ' ' O ' ' A' ' 10' ' ' ARG . 52.3 mt-30 19.67 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 1.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -128.79 153.07 79.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.0 74.8 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 1.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 3.8 ttpp 89.11 91.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 2.9 m-20 -130.69 -0.26 4.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.553 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.7 ptp180 39.4 -148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 16' ' ' ARG . 75.8 t 76.34 143.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -130.04 145.54 51.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.6 t -137.53 50.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 108.351 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.42 -138.79 2.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 1.0 111.031 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.587 ' CE2' HD13 ' A' ' 24' ' ' ILE . 44.8 p90 -150.46 163.46 24.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 1.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.85 6.19 12.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.587 HD13 ' CE2' ' A' ' 21' ' ' PHE . 4.0 tt -60.19 176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 1.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.6 p -121.26 -54.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.571 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 2.9 p 158.16 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.2 m-20 -43.91 -56.09 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -56.1 -26.61 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.4 t -83.72 -30.03 27.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 108.353 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 4.1 m-85 -88.87 -10.81 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.2 m -104.05 -7.98 19.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 1.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -94.23 16.25 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 15.25 80.22 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.8 m -115.25 167.48 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -103.47 164.51 11.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 108.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 38' ' ' SER . 2.6 t80 -149.91 143.39 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -127.89 -84.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.719 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 4.7 p 91.84 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.397 1.061 . . . . 1.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 11.6 mt-30 -46.48 -17.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG1' HG11 ' A' ' 43' ' ' VAL . 86.5 t -111.28 93.45 18.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.5 Cg_endo -74.95 5.21 4.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.418 1.746 . . . . 1.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -106.9 1.27 35.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 1.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.619 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.4 m -143.75 179.01 1.26 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.05 121.73 6.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.719 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 4.7 m0 -65.93 -51.9 54.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.499 1.124 . . . . 1.0 108.03 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.495 ' SG ' HD11 ' A' ' 24' ' ' ILE . 4.4 m -87.71 121.92 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -151.77 -167.54 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -99.5 168.57 9.37 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 154.84 42.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 1.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.683 ' N ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -81.22 -41.55 1.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 27.0 mm100 67.4 167.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 110.325 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.2 59.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLN . 3.9 p -84.38 -91.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' ' NH1' ' A' ' 7' ' ' ARG . 11.0 mt-10 75.12 30.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' CG ' ' C ' ' A' ' 56' ' ' GLU . 3.1 mt-10 -155.31 -39.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 88.2 m -84.18 8.91 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 108.308 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.592 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 2.0 t -76.24 118.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 1.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.716 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -161.61 135.95 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 63' ' ' SER . 33.2 mt-30 -80.07 165.85 22.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.165 . . . . 1.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 63' ' ' SER . 14.5 p -58.54 79.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.3 m 157.83 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 1.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.08 -17.01 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 96' ' ' PHE . 1.5 mmt-85 -58.42 -156.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -168.55 31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' A' ' 66' ' ' LYS . 39.2 m-80 31.73 93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.679 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 1.8 t -120.44 -162.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 45.2 -172.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.663 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 51.5 p90 -127.77 165.77 27.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 1.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.1 Cg_endo -75.0 76.72 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 1.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 168.41 -28.81 0.15 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 1.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.4 tt -57.79 165.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.567 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -129.88 -178.17 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.91 164.73 32.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 1.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.4 mt-10 70.16 -44.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.0 m-20 -75.63 -57.31 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 30.0 t -43.41 -52.29 6.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.0 108.318 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.72 87.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -90.08 23.6 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 77' ' ' ASP . 17.7 mmm180 -136.99 -43.24 0.57 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.1 p30 153.1 114.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 1.0 109.338 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 48.3 m 100.83 145.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 97.0 m -73.65 168.83 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 1.0 108.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 11.6 t80 -143.56 108.35 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.6 t -137.22 87.26 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.626 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -77.4 -2.64 36.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 87' ' ' ASP . 10.5 t -34.18 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.6 mt -121.63 128.69 25.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 1.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.94 156.31 43.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 1.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER 83.77 -73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 1.0 110.231 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.505 ' O ' ' O ' ' A' ' 91' ' ' GLU . 1.8 m -39.17 164.6 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.98 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 43.5 m0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.999 -1.112 . . . . 1.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 32.2 m -94.09 104.32 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 108.297 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 7.1 p90 -123.0 -170.48 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 1.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.679 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 5.3 m-85 -102.44 144.89 29.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 115.11 4.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.433 1.754 . . . . 1.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.91 87.79 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -44.63 132.46 6.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.017 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -106.16 -101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.2 tt0 89.68 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 1.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -36.79 -37.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -55.45 -177.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.411 ' CE1' ' OE1' ' A' ' 39' ' ' GLN . 1.9 p-80 -144.88 -174.96 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 1.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 4' ' ' ALA . 3.2 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 1.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER 62.35 129.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 1.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.65 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 174.42 12.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 5' ' ' ALA . . . -37.46 -46.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.965 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . . . 88.47 -10.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -87.24 13.47 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -133.67 19.94 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 35' ' ' CYS . 3.7 m -117.66 -51.76 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 1.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 103' ' ' ASP . 46.6 p -89.77 -0.02 57.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' NH1' ' OD2' ' A' ' 103' ' ' ASP . 6.3 tpm_? -103.57 -23.12 13.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 mt-30 -49.83 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.551 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t70 -100.57 148.6 35.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.667 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.0 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 1.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.667 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 104.45 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.543 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 2.8 m-80 -160.54 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -111.69 157.66 20.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 1.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.01 -175.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.9 p30 -91.87 156.92 17.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 46' ' ' CYS . 51.0 t -139.83 43.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.5 -147.03 6.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.84 166.34 25.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 1.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.37 6.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.592 1.838 . . . . 1.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.68 7.3 20.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 1.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.609 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 3.7 tt -62.56 173.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASP . 17.0 p -131.3 39.7 3.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 30' ' ' PHE . 53.7 p 62.73 -71.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 25' ' ' THR . 25.8 m-20 -38.64 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -46.54 -23.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 1.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.9 t -88.58 -37.65 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 3.4 m-85 -88.36 36.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' SER . 85.6 m -69.02 19.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.616 ' H ' ' C ' ' A' ' 30' ' ' PHE . 2.0 t 78.87 -0.81 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.84 -55.66 0.65 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 1.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -105.38 162.0 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.3 m -107.4 169.72 8.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 1.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 46.2 t80 -151.73 102.74 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.637 ' C ' ' H ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -96.55 -60.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.704 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER 67.98 -34.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.637 ' H ' ' C ' ' A' ' 37' ' ' ASP . 13.0 mt-30 -48.94 -14.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' N ' ' C ' ' A' ' 38' ' ' SER . 97.7 t -107.73 99.16 28.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.3 Cg_endo -74.96 134.69 18.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.429 1.752 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.71 -36.14 4.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.577 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -93.07 179.7 1.24 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 1.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.96 119.55 5.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.764 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.704 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 36.1 m0 -72.62 -51.44 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.02 -1.104 . . . . 1.0 108.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' CYS . 1.8 m -93.32 104.2 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 1.0 108.351 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 45' ' ' TRP . 3.0 p90 -134.4 -166.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.736 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -88.99 161.47 40.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 1.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.547 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -74.95 159.98 40.85 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 1.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -121.65 68.25 22.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.547 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 174.43 12.79 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 1.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . 175.51 38.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 158.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 1.0 110.322 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.22 2.97 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 1.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 58.5 m -69.07 -53.1 22.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.999 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.5 tt0 86.81 13.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 1.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.09 -22.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.0 m -83.02 1.13 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 108.374 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.442 ' O ' ' SD ' ' A' ' 60' ' ' MET . 1.5 t -65.09 123.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.683 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -167.42 150.97 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 1.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 53.9 mt-30 -73.24 160.15 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 1.0 110.317 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.458 ' CG1' HG13 ' A' ' 92' ' ' VAL . 32.6 m -50.94 -46.93 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 1.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 t -70.15 -23.12 62.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 61' ' ' GLN . . . -68.97 -58.45 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 26.0 mtt180 -50.8 104.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HG3' ' CD1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -57.4 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' H ' ' CG ' ' A' ' 66' ' ' LYS . 5.5 t30 171.21 106.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.7 t -125.25 -157.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 1.0 108.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 43.19 -168.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 1.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.659 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 40.9 p90 -130.63 164.79 39.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 1.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.0 86.58 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.549 1.815 . . . . 1.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.69 -21.29 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 1.0 110.989 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.659 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.2 tt -64.18 163.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.607 ' C ' ' CE2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -125.9 -177.37 0.57 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 110.048 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.1 Cg_endo -74.96 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 tt0 67.92 -52.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 1.0 110.274 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.606 ' O ' ' N ' ' A' ' 81' ' ' ARG . 67.4 m-20 -64.38 -59.52 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.469 ' CB ' HD12 ' A' ' 73' ' ' ILE . 8.5 t -45.52 -55.68 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.16 94.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -88.47 19.46 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 77' ' ' ASP . 67.7 mtt-85 -131.74 -42.97 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.658 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER 149.87 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.238 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.658 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 60.8 m 104.41 139.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.614 1.196 . . . . 1.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.612 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 96.8 m -66.45 167.58 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 108.313 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.608 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 20.0 t80 -142.17 105.62 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -132.92 92.03 2.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.608 ' O ' ' C ' ' A' ' 88' ' ' THR . 12.3 p-10 -75.05 0.12 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 1.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.608 ' C ' ' O ' ' A' ' 87' ' ' ASP . 3.4 t -19.63 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.7 ' O ' ' NE1' ' A' ' 94' ' ' TRP . 1.2 mp -123.99 146.84 52.32 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.666 ' HD2' HG22 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -33.21 4.85 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.673 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 0.4 OUTLIER -94.16 61.56 2.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.6 1.187 . . . . 1.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.673 ' CG1' ' O ' ' A' ' 91' ' ' GLU . 17.9 m -165.18 160.08 14.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HG2' ' CB ' ' A' ' 65' ' ' ARG . 18.0 Cg_endo -75.08 80.35 2.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.551 1.816 . . . . 1.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.7 ' NE1' ' O ' ' A' ' 89' ' ' ILE . 32.5 m0 -39.91 -47.01 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 1.0 107.996 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.519 ' SG ' ' CG2' ' A' ' 73' ' ' ILE . 24.0 m -94.83 112.33 24.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.0 108.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.683 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 19.5 p90 -135.66 -172.98 3.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 1.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 6.6 m-85 -103.08 158.21 32.22 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 1.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 100' ' ' SER . 18.3 Cg_endo -74.97 -16.02 20.52 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.516 1.798 . . . . 1.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.536 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER 58.77 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.4 m 157.11 179.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 103' ' ' ASP . 2.7 m -99.61 -111.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.67 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 101' ' ' VAL . 7.7 t70 -44.76 -31.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 2.7 m -71.58 -77.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 104' ' ' CYS . 20.8 p-80 36.87 -156.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.131 . . . . 1.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.965 ' CE1' ' HB3' ' A' ' 5' ' ' ALA . 1.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.481 ' C ' ' CG ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.259 -0.274 . . . . 1.0 110.259 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.481 ' CG ' ' C ' ' A' ' 1' ' ' GLU . 0.3 OUTLIER -154.02 170.63 8.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 1.0 109.359 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.772 ' HG2' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.91 -77.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.734 ' O ' ' CE2' ' A' ' 106' ' ' TYR . . . -163.35 -103.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' HB2' ' N ' ' A' ' 105' ' ' HIS . . . 171.45 -37.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 62.1 m -57.97 -13.22 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 108.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' CZ ' ' CB ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -113.41 22.7 13.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 110.236 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.15 -66.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 108.244 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 2.3 p -84.73 57.45 4.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 1.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.726 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER 174.77 -19.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 1.0 110.358 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.726 ' O ' ' O ' ' A' ' 10' ' ' ARG . 14.0 tt0 -43.83 -119.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.535 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 1.9 t70 -152.97 147.81 19.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.772 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.97 74.43 3.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.772 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.0 ttpp 117.14 91.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.535 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 1.7 m-80 -158.31 -42.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -114.91 169.29 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 1.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.25 178.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.517 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 8.6 t-20 -78.06 139.6 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 39.5 t -127.43 51.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.86 -150.13 8.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 1.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -127.48 164.03 38.73 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.95 8.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 1.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.94 7.51 23.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 1.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 ' CE1' ' A' ' 21' ' ' PHE . 5.3 tt -65.13 174.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 0.749 . . . . 1.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.0 p -124.29 -51.19 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 1.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 6.8 p 160.23 -72.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' OG1' ' A' ' 31' ' ' THR . 0.9 OUTLIER -42.13 -61.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.246 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -51.05 -25.14 4.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 t -85.64 -34.94 21.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 1.0 108.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.862 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 9.5 m-85 -86.77 2.08 50.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 1.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 8.0 m -109.82 -11.84 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 110.44 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -98.75 14.3 29.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 1.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.31 86.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 1.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 m -101.42 169.88 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -110.05 174.11 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 33.0 t80 -147.35 89.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 1.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.3 t70 -111.1 81.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.616 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -75.97 -13.3 60.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 1.0 109.966 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.405 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.1 mt-30 -49.81 -17.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.485 ' CG1' HG11 ' A' ' 43' ' ' VAL . 93.7 t -113.66 91.71 21.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.535 1.808 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -109.46 3.21 30.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 1.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.655 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.5 m -145.89 -175.57 0.48 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.655 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.05 124.52 8.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 5.5 m0 -73.22 -52.94 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 107.991 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 18' ' ' ASN . 3.8 m -91.91 109.78 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 1.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -142.59 -158.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 111.043 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.722 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.31 137.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.511 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.91 -179.74 5.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.45 1.763 . . . . 1.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' CD2' ' HG3' ' A' ' 11' ' ' GLN . 1.9 pp -126.92 64.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 -171.82 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 55' ' ' SER . . . -133.53 -175.31 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.623 ' C ' ' H ' ' A' ' 55' ' ' SER . 1.6 mt-30 -58.05 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 59.04 -4.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 53' ' ' GLN . 2.2 m -37.19 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.525 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . 11.9 mt-10 64.64 53.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 5.2 pt-20 164.12 -33.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.473 ' O ' ' HE1' ' A' ' 60' ' ' MET . 71.7 m -85.41 7.28 23.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 1.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 60' ' ' MET . 4.8 t -68.29 131.52 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.717 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.9 ptp 177.12 149.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' ALA . 1.7 mp0 -80.16 159.83 25.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 1.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.513 ' CG2' HG23 ' A' ' 89' ' ' ILE . 7.5 p -49.65 -28.91 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 1.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -91.31 30.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 1.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -126.31 -61.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.549 ' NE ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -36.22 155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -111.9 -92.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.572 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 11.9 t30 173.23 113.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 1.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.5 -84.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 108.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.32 -147.22 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 1.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.636 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -122.96 157.03 61.5 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 1.0 111.064 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 83.71 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.5 -26.44 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 1.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.563 ' CG2' ' SG ' ' A' ' 95' ' ' CYS . 10.4 tt -46.63 161.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 1.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.543 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -80.67 -179.99 1.67 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.06 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.616 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.91 -90.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 6.9 pt-20 -46.79 -33.75 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.02 -30.43 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.54 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 47.6 t -77.52 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.18 . . . . 1.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 78' ' ' CYS . . . -35.99 -34.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.363 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.588 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -38.04 -69.19 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.588 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -149.22 50.25 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 110.344 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.542 ' OD1' ' CD1' ' A' ' 73' ' ' ILE . 15.3 m120 -142.0 28.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 9.3 m 72.91 -162.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 1.0 108.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.635 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 63.8 m -66.19 162.82 19.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 1.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.616 ' CE2' ' HA ' ' A' ' 75' ' ' PRO . 47.4 t80 -144.47 94.43 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.48 ' HB3' ' HE1' ' A' ' 96' ' ' PHE . 22.9 t -125.42 100.74 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.585 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -81.35 -3.59 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 1.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 87' ' ' ASP . 9.5 t -29.69 -41.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.183 . . . . 1.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.523 HG21 ' CG1' ' A' ' 92' ' ' VAL . 1.2 mp -109.41 106.0 57.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 1.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.598 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 139.62 24.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.567 1.825 . . . . 1.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.26 30.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 1.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.541 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -152.57 174.99 3.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.549 ' HD2' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.07 95.54 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 1.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.585 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -61.86 -37.93 86.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 1.0 108.038 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 65.7 m -89.27 94.08 9.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.717 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 36.5 p90 -116.15 169.25 9.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 67' ' ' ASN . 71.1 m-85 -86.25 153.33 56.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 1.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.57 87.0 7.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' VAL . 7.3 p -40.95 157.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 100' ' ' SER . 1.5 m -54.91 -107.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.22 -73.1 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -72.42 -14.63 61.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -100.19 136.15 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 108.349 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.436 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 3.0 p80 -161.66 179.27 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 1.0 109.627 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.862 ' CE1' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 1.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' A' ' 1' ' ' GLU . 1.8 mp0 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.358 -0.238 . . . . 1.0 110.358 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.625 ' CE ' ' CE1' ' A' ' 106' ' ' TYR . 2.0 mmmm 67.08 121.55 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 1.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.95 -34.7 3.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 161.28 -105.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.574 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . . . 161.75 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -69.66 -4.03 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 108.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.519 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -121.74 17.11 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 1.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HA ' ' HG3' ' A' ' 11' ' ' GLN . 1.7 m -132.19 -42.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -92.09 -20.39 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 1.0 109.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -90.69 -22.72 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 110.281 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 6.6 mt-30 -46.75 168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.533 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 6.0 t70 -91.01 145.67 32.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.716 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.1 85.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 1.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.716 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 15.3 ttmt 108.32 81.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.533 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 7.1 m-80 -162.37 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 1.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.624 ' HG3' ' CG ' ' A' ' 47' ' ' PHE . 5.6 mmp_? -57.15 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 18' ' ' ASN . 1.4 t -138.78 32.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.1 t-20 60.87 142.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 1.0 109.237 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.5 t -140.99 60.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.19 -148.92 13.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.558 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -129.07 164.73 37.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 1.0 111.016 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.98 2.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.526 1.803 . . . . 1.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ILE . . . 118.75 -9.62 12.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 1.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.471 HG12 ' N ' ' A' ' 25' ' ' THR . 8.4 tt -42.96 165.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.587 ' O ' ' C ' ' A' ' 26' ' ' SER . 48.8 p -114.08 124.25 51.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' PHE . 83.2 p -22.86 -71.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' PHE . 98.8 m-20 -37.53 -71.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 1.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.402 ' HG2' ' OG1' ' A' ' 25' ' ' THR . 25.8 mm-40 -46.49 -28.51 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.387 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 t -81.94 -32.75 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 106' ' ' TYR . 4.8 m-85 -91.08 35.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 32' ' ' SER . 51.9 m -71.19 14.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 1.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 79.38 -5.71 1.91 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 1.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.71 -40.71 4.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.1 m -129.87 175.76 8.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 3.8 m -119.38 168.65 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 108.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 18.4 t80 -139.99 95.29 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.0 t70 -121.93 88.72 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.679 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 31.4 t -84.76 -11.19 56.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 1.149 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 13.1 mt-30 -50.72 -13.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 ' N ' ' C ' ' A' ' 38' ' ' SER . 87.1 t -111.21 94.15 20.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.03 132.19 15.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 1.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.09 -17.52 34.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -116.42 178.1 1.06 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 1.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 119.62 5.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 1.0 111.032 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.679 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 23.6 m0 -73.27 -53.47 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 8.9 m -89.58 107.2 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CG ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -134.0 -166.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -111.5 143.04 27.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 157.73 42.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 1.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.759 ' CB ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -52.84 -73.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.759 ' HD3' ' CB ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.97 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 1.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.9 54.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -139.82 142.66 36.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.67 0.01 19.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m -43.66 -56.33 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 110.048 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.57 81.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 1.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 174.44 -33.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.85 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.6 m -84.1 -84.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.85 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.9 OUTLIER 26.59 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.744 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 4.3 ptp 179.08 138.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 1.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.6 mt-30 -83.82 165.99 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 63' ' ' SER . 12.3 p -61.01 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t 160.39 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -81.69 -16.82 50.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 178.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.681 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -129.6 -34.48 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.681 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 26.5 t30 98.36 84.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.9 t -120.95 -168.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 108.253 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 46.57 -176.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 1.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.654 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 44.8 p90 -125.57 164.36 33.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 81.4 2.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 1.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.31 -25.75 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 1.0 111.027 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.654 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 4.6 tt -56.79 160.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 1.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.558 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -97.32 -178.97 0.8 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 1.0 109.971 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.603 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.493 1.786 . . . . 1.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -50.7 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 1.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -64.58 -53.72 43.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 41.8 t -50.55 -65.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 108.374 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.21 61.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -83.57 13.73 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.603 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 9.1 mmt180 -121.86 -45.91 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 1.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 10.7 m-20 146.62 113.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.721 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 111.17 143.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.705 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 47.7 m -66.15 164.49 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 23.3 t80 -142.79 99.72 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 t -132.1 97.27 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.576 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 1.8 p-10 -82.28 -6.02 58.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.485 ' C ' ' O ' ' A' ' 87' ' ' ASP . 5.1 t -31.48 -40.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.538 HG23 ' CG1' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -108.93 103.89 53.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.97 140.73 25.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 1.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.07 28.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -152.09 177.11 2.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 1.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 103.49 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 1.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.576 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 40.3 m0 -71.21 -39.4 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.623 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.6 m -91.66 93.51 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 108.246 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.744 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 20.2 p90 -113.01 -173.18 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 67.1 m-85 -103.76 162.39 20.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 1.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.01 17.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.823 . . . . 1.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.42 ' C ' ' OG ' ' A' ' 100' ' ' SER . 9.5 ptt? -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.42 ' OG ' ' C ' ' A' ' 99' ' ' MET . 0.0 OUTLIER 61.89 79.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 1.0 109.958 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.601 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -138.01 -93.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.601 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 4.0 tt0 94.06 -20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 105' ' ' HIS . 99.4 m-20 -71.22 -9.32 57.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 11.6 m -41.63 -45.64 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 108.361 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.593 ' HD1' ' N ' ' A' ' 106' ' ' TYR . 1.3 p80 36.99 -154.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.535 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.776 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 53.0 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 2.5 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 8.3 mttt 165.03 125.01 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.0 -70.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 1.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.477 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -178.94 -174.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.509 ' HB2' ' N ' ' A' ' 105' ' ' HIS . . . -112.6 -15.35 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.9 m -76.65 -6.64 52.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 108.27 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.477 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -121.38 30.43 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CA ' ' OE1' ' A' ' 11' ' ' GLN . 2.1 m -147.26 -46.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 108.289 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 20.9 p -88.7 69.32 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.668 ' O ' ' C ' ' A' ' 11' ' ' GLN . 2.0 mmm180 158.43 -23.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 1.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.668 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -10.97 -92.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.5 t70 -150.99 145.61 18.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.04 67.86 5.89 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.492 1.785 . . . . 1.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 89.84 101.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.5 m-20 -117.01 -33.17 4.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER 85.27 3.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.435 1.085 . . . . 1.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.96 142.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.483 ' N ' ' ND2' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -130.95 160.37 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.25 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -140.13 55.7 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 108.268 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.76 -122.23 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 24' ' ' ILE . 4.5 p90 -161.37 161.42 23.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 1.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 1.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.6 -1.1 11.22 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 21' ' ' PHE . 3.8 tt -50.25 165.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 22.0 p -108.06 -57.99 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 1.0 110.367 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.8 p 159.93 -67.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -43.62 -55.09 4.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.58 -28.56 55.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 6.4 t -84.16 -38.17 21.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 1.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 3.4 m-85 -89.31 38.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.417 ' O ' ' CB ' ' A' ' 32' ' ' SER . 86.0 m -81.54 23.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 110.367 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 79.22 2.55 2.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 1.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.38 -61.34 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 1.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 37.9 m -114.87 170.1 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 1.0 108.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.558 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -110.12 169.92 8.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 108.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CZ ' ' OG ' ' A' ' 38' ' ' SER . 48.5 t80 -151.25 115.64 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -102.29 -60.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.687 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.19 75.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 1.0 110.03 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.492 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 5.1 mt-30 -134.14 -8.53 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 43' ' ' VAL . 6.8 t -137.68 116.77 9.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 4.18 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 1.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.461 ' C ' HG11 ' A' ' 43' ' ' VAL . . . -112.52 4.71 26.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.143 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 3.3 m -139.32 169.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.598 0.822 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.05 121.33 6.49 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.545 1.813 . . . . 1.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.687 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 21.2 m0 -74.13 -46.61 41.49 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.082 -1.081 . . . . 1.0 108.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.5 m -88.49 124.52 34.07 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 1.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -144.22 -169.97 3.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 110.997 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -104.92 132.63 20.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 1.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.473 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 -165.62 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 1.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.566 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -137.87 56.95 12.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 137.9 22.25 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 1.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.641 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -165.96 74.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.641 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER 151.41 167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.56 5.57 14.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.445 ' CB ' ' HG2' ' A' ' 57' ' ' GLU . 57.0 m -152.01 153.71 34.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 44.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 110.365 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 55' ' ' SER . 8.5 pt-20 -109.6 -30.23 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' SD ' ' A' ' 60' ' ' MET . 66.8 m -84.44 -74.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.749 ' O ' ' HB2' ' A' ' 60' ' ' MET . 1.5 t 44.05 -147.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.749 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER 78.18 142.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 111.068 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.421 ' CG ' HD21 ' A' ' 50' ' ' LEU . 11.2 mt-30 -86.45 169.75 12.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 1.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CG1' HD12 ' A' ' 89' ' ' ILE . 19.7 m -51.18 -32.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 p -97.69 46.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 1.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.36 -45.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 1.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HD3' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -51.57 128.73 23.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 1.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.491 ' CD ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 tmtp? -111.38 128.33 55.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 1.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LYS . 6.9 p30 -37.49 110.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.619 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 7.9 t -132.17 103.79 6.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 108.26 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.29 -150.08 17.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.427 1.08 . . . . 1.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -120.54 153.48 56.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 1.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 8.29 2.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 1.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.99 -16.59 10.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 1.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.529 ' CG2' ' SG ' ' A' ' 95' ' ' CYS . 4.4 tt -59.96 165.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 1.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -127.04 -176.42 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.05 169.14 23.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 1.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 tm-20 69.98 -51.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 1.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 81' ' ' ARG . 33.4 m-20 -73.87 -50.64 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 47.6 t -46.22 -39.32 9.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 108.33 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.78 -36.68 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.49 20.42 2.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mmp_? -131.2 -48.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.731 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.8 m-20 149.79 114.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.731 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 99.6 m 115.65 145.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 108.339 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 9.9 m -70.94 168.46 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 47.7 t80 -143.45 97.86 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 t -128.18 97.43 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.615 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 5.3 p-10 -90.02 -2.11 58.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 87' ' ' ASP . 9.8 t -34.92 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.1 mp -121.7 129.94 24.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.329 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.03 149.39 36.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.544 1.812 . . . . 1.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER 89.16 -68.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 1.0 110.287 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.478 HG12 ' CG2' ' A' ' 89' ' ' ILE . 12.2 m -39.48 161.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.01 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.438 1.757 . . . . 1.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.615 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -51.78 -43.54 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 1.0 107.969 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 96.1 m -95.5 108.7 20.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 84' ' ' CYS . 7.3 p90 -130.55 -172.41 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 80.5 m-85 -97.89 147.29 32.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.95 25.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.53 151.94 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.48 127.31 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 1.0 110.058 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -147.2 -97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 5.7 tt0 88.32 31.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 9.5 p-10 -163.88 31.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 105' ' ' HIS . 3.3 m -65.42 -58.04 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.509 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 7.8 p-80 54.07 165.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 1.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.5 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 89.4 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.629 ' NZ ' ' CZ ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -40.15 123.16 1.67 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 1.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.98 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 1.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.769 ' C ' ' OH ' ' A' ' 106' ' ' TYR . . . 162.23 -43.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 1.278 ' HB1' ' CZ ' ' A' ' 106' ' ' TYR . . . 103.48 -9.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.53 ' SG ' ' CG1' ' A' ' 101' ' ' VAL . 96.1 m -79.48 -5.36 54.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 1.0 108.366 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.609 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -134.76 40.86 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 1.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.647 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.3 m -142.67 -41.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 1.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.545 ' C ' ' O ' ' A' ' 8' ' ' CYS . 24.3 p -26.88 87.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.647 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 41.32 31.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 10' ' ' ARG . 1.6 mm-40 18.63 -94.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.535 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 5.1 t70 -138.35 148.2 58.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 81.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.791 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 7.9 tttp 97.66 97.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -139.96 -22.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 5.0 ptp85 42.77 78.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.0 t -151.31 38.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.493 ' C ' ' O ' ' A' ' 17' ' ' VAL . 12.4 t-20 -33.52 148.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -133.53 16.63 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 108.248 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . -154.19 -135.91 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 1.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.649 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -141.14 164.44 35.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 1.0 110.996 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.31 7.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 1.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.11 12.58 16.96 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.49 1.119 . . . . 1.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.618 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 2.6 tt -68.37 175.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.404 0.708 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.6 p -141.0 46.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 29' ' ' CYS . 80.5 p 60.64 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 m-20 -38.75 -67.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -48.27 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.305 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.7 t -90.0 -34.84 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 108.26 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 6.1 m-85 -91.94 8.44 37.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 5.0 m -115.51 -13.48 11.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.463 1.102 . . . . 1.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 p -99.78 9.14 43.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.0 110.027 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.43 -4.52 86.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 1.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 95.6 m -85.81 171.75 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 2.1 m -114.86 160.29 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 108.318 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.625 ' CZ ' ' OG ' ' A' ' 38' ' ' SER . 24.9 t80 -143.51 142.0 30.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 1.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -131.56 -57.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.625 ' OG ' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER 51.5 64.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 1.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.498 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.4 mt-30 -129.15 -6.25 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 1.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.482 ' CG1' HG21 ' A' ' 43' ' ' VAL . 24.2 t -126.91 123.86 23.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 118.45 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 1.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.76 -64.2 0.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 1.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 10.5 m -54.97 167.17 0.67 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 1.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.02 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 110.997 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 37.6 m0 -66.71 -45.44 78.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 24' ' ' ILE . 1.7 m -89.3 135.8 33.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -151.33 -167.82 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 111.02 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -114.12 155.17 45.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.526 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 170.16 21.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 1.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD11 ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -118.99 72.48 11.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.223 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -75.06 149.73 36.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 1.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.71 148.48 26.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 56.58 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.96 -7.12 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 1.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 2.2 t -65.54 -53.03 47.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.631 1.207 . . . . 1.0 110.022 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 55' ' ' SER . 14.9 tt0 88.46 -27.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.82 11.45 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 55' ' ' SER . 77.6 m -86.97 9.81 18.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 1.0 108.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.609 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 2.1 t -72.36 145.8 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.777 ' SD ' ' CD2' ' A' ' 96' ' ' PHE . 10.8 ptp 175.74 138.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 63' ' ' SER . 15.8 mt-30 -84.78 166.19 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.347 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.672 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -57.64 83.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 156.99 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.541 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -81.71 -18.59 43.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.596 ' HD3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.07 -171.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -151.37 -110.44 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -176.79 74.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 109.369 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 35.1 t -111.62 64.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 108.275 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.81 -176.24 35.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.413 1.071 . . . . 1.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.674 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -123.03 162.23 40.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 1.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 1.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.26 -14.89 23.08 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.381 1.051 . . . . 1.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.519 ' HB ' ' CE2' ' A' ' 70' ' ' TYR . 14.2 tt -69.85 165.01 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -106.97 178.41 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -75.0 -61.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.433 1.754 . . . . 1.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 28.5 mt-10 -70.99 -11.2 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -87.42 -52.73 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 1.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 15.9 t -51.63 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 1.0 108.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.81 -43.98 66.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -83.12 12.53 5.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 1.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.5 mmt180 -120.11 -46.16 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.734 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 142.44 116.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.734 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 74.9 m 115.88 149.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 1.0 108.263 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.709 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 71.2 m -71.92 154.83 40.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 19.8 t80 -140.19 100.11 3.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.565 1.166 . . . . 1.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.472 ' OG ' HG23 ' A' ' 88' ' ' THR . 36.1 t -131.02 92.43 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 110.014 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.614 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.4 OUTLIER -79.44 -1.61 38.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 1.0 109.382 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.494 ' CG2' HD11 ' A' ' 89' ' ' ILE . 11.9 t -34.17 -34.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.494 HD11 ' CG2' ' A' ' 88' ' ' THR . 1.2 mp -120.01 109.49 37.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 1.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.639 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.9 140.49 25.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 1.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.639 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.3 mm-40 97.97 21.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.584 HG12 ' CG2' ' A' ' 62' ' ' VAL . 2.5 m -142.29 165.53 26.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.99 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.57 1.826 . . . . 1.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.614 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 20.6 m0 -53.42 -39.04 64.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 108.024 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 92.7 m -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.777 ' CD2' ' SD ' ' A' ' 60' ' ' MET . 14.4 p90 -112.05 -169.95 1.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 1.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 57.5 m-85 -100.05 140.34 21.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 99' ' ' MET . 18.2 Cg_endo -74.99 176.91 9.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.431 1.753 . . . . 1.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 73.21 -165.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 99' ' ' MET . 0.9 OUTLIER 78.6 113.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 1.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.79 ' O ' ' N ' ' A' ' 103' ' ' ASP . 1.9 m -135.0 -103.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 104' ' ' CYS . 0.0 OUTLIER 39.83 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 1.0 110.233 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.79 ' N ' ' O ' ' A' ' 101' ' ' VAL . 14.6 t0 -37.8 -28.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.586 ' SG ' ' HA ' ' A' ' 101' ' ' VAL . 4.5 m -60.82 140.64 57.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.587 1.179 . . . . 1.0 108.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.416 ' C ' ' HB3' ' A' ' 5' ' ' ALA . 2.4 p-80 -173.17 -179.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 1.278 ' CZ ' ' HB1' ' A' ' 5' ' ' ALA . 47.9 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 1.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 -84.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.861 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . . . -159.41 -171.61 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.659 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -98.52 -32.47 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m -72.06 -20.01 61.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.861 ' HG3' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -81.05 -11.04 59.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.06 -70.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 108.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 p -50.85 -55.44 16.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 110.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.02 50.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 1.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 48' ' ' LYS . 1.6 tp60 -79.58 -101.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 2.2 t70 -151.29 146.6 19.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 1.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.06 78.36 2.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 1.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 91.03 108.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 m-20 -116.65 -7.09 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 45.15 23.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 15' ' ' ASN . 60.4 t -132.97 149.91 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 3.2 p30 -130.03 163.08 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -138.64 24.94 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 108.277 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.94 -139.23 3.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 1.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' A' ' 24' ' ' ILE . 53.5 p90 -144.4 161.27 45.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 1.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 112.17 3.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.533 1.807 . . . . 1.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.68 3.65 16.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 1.0 111.081 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.909 HG21 ' SG ' ' A' ' 46' ' ' CYS . 3.5 tt -58.34 175.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' SER . 23.4 p -119.0 -55.35 2.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 4.6 p 159.93 -74.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.4 t70 -41.44 -56.14 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -55.64 -26.71 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.1 t -84.43 -31.89 24.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 108.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 22.6 m-85 -85.36 -8.82 58.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ASP . 19.8 m -99.52 -10.61 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -95.85 12.97 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.59 7.92 85.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 59.1 m -108.85 161.15 15.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.517 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -101.4 167.78 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 41.7 t80 -150.07 126.89 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.737 ' O ' ' HB3' ' A' ' 38' ' ' SER . 0.2 OUTLIER -121.96 -70.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 1.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.862 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 30.0 t 84.53 -31.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 110.059 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.636 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -30.42 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 110.301 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.556 HG12 HG13 ' A' ' 43' ' ' VAL . 39.0 t -93.43 108.32 32.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.06 136.25 20.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 1.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.08 -52.71 0.98 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 1.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -70.05 -179.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 1.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 117.24 4.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.432 1.754 . . . . 1.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.862 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 34.3 m0 -74.03 -49.13 25.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.909 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -89.46 118.82 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 108.258 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -140.24 -165.61 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 1.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.552 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -97.43 164.38 17.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.289 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -170.18 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.55 1.816 . . . . 1.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.71 HD21 ' CG ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -138.19 59.38 18.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.03 157.33 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.607 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -172.77 39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER 168.07 155.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.227 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.89 2.19 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 1.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -131.67 128.53 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 1.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.35 55.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' SD ' ' A' ' 99' ' ' MET . 10.1 pt-20 -125.51 -31.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 84' ' ' CYS . 81.6 m -84.46 -78.91 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 108.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.72 ' O ' ' HB3' ' A' ' 60' ' ' MET . 1.8 t 49.45 116.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.821 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 14.4 ptp 163.08 145.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.71 ' CG ' HD21 ' A' ' 50' ' ' LEU . 2.8 mt-30 -87.73 171.1 10.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.884 HG12 HH12 ' A' ' 65' ' ' ARG . 2.4 m -63.33 79.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 161.51 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.956 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -86.91 -7.94 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.884 HH12 HG12 ' A' ' 62' ' ' VAL . 18.3 mtt180 -80.32 8.63 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.685 ' CE ' ' CE2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 35.95 -98.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.584 ' C ' ' HE2' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 160.72 82.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' CYS . 41.8 t -77.57 -84.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.97 -155.23 0.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.738 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -122.47 158.46 56.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.764 . . . . 1.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 7.76 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 1.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 -13.43 13.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 1.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.642 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 3.3 tt -75.35 164.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -115.99 -176.55 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.963 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.664 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.93 174.38 12.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 1.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.38 -58.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.859 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 7.9 m-20 -63.74 -35.18 79.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.494 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 40.9 t -62.42 -70.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.102 . . . . 1.0 108.356 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.22 -12.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 77' ' ' ASP . . . -54.88 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.521 ' HD2' ' HB1' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.86 48.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 73' ' ' ILE . 10.6 m120 -134.33 -108.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 4.6 m -154.95 -168.24 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 108.252 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 4.0 m -47.06 157.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 75' ' ' PRO . 73.2 t80 -143.42 82.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.478 ' OG ' HG22 ' A' ' 88' ' ' THR . 40.7 t -112.01 93.16 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.628 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -83.43 -6.63 59.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.955 HG23 HD12 ' A' ' 89' ' ' ILE . 9.0 t -34.38 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.955 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -117.93 106.97 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.01 144.5 30.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.452 1.764 . . . . 1.0 111.017 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.615 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 92.78 25.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.325 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.52 HG21 ' NH1' ' A' ' 65' ' ' ARG . 1.1 m -147.8 169.03 9.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 65' ' ' ARG . 17.9 Cg_endo -75.08 100.58 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 1.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.628 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 37.6 m0 -68.89 -46.18 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.814 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 75.2 m -83.48 92.01 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.348 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.792 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 30.8 p90 -122.15 159.53 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.157 . . . . 1.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' ' CE ' ' A' ' 66' ' ' LYS . 22.5 m-85 -65.46 151.09 95.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.43 36.59 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.537 1.809 . . . . 1.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.49 ' HG2' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -40.98 -36.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 1.0 111.032 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.49 ' N ' ' HG2' ' A' ' 99' ' ' MET . 33.8 m 35.74 69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.607 1.192 . . . . 1.0 109.963 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -151.11 -98.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.7 mt-10 90.03 0.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -92.8 25.17 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 1.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.09 177.02 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.659 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 8.9 p80 -163.08 -167.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 1.0 109.528 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.889 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 12.3 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.539 ' HZ1' ' HE2' ' A' ' 106' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.549 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 -92.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.389 1.731 . . . . 1.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 1.011 ' HA ' ' OH ' ' A' ' 106' ' ' TYR . . . -174.75 143.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 1.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -61.01 -27.83 68.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 1.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.0 m -64.99 -13.13 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 108.204 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.821 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.32 14.29 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 110.259 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.666 ' O ' ' N ' ' A' ' 10' ' ' ARG . 5.2 m -134.15 -38.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 108.241 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.555 ' OG ' ' NE2' ' A' ' 61' ' ' GLN . 7.5 p -30.67 86.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 1.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 44.61 23.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 21.89 -91.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.593 1.183 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -119.13 152.89 52.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.4 Cg_endo -74.99 78.31 2.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 1.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 79.57 100.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CG ' ' CG ' ' A' ' 12' ' ' ASP . 3.7 m-20 -130.54 -3.34 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.379 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 64.25 8.61 4.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 1.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.1 t -63.89 167.71 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.565 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 2.9 p30 -172.75 130.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -140.17 28.17 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.23 -154.61 8.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.11 . . . . 1.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.935 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -126.74 163.31 41.86 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 1.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.61 10.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.377 1.725 . . . . 1.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.68 15.84 21.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.065 HG21 ' SG ' ' A' ' 46' ' ' CYS . 1.4 tt -71.71 -178.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 1.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CB ' ' A' ' 26' ' ' SER . 19.3 p -127.1 -48.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 1.0 110.433 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.1 p 151.07 -76.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.5 p-10 -41.08 -53.97 2.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -55.49 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.7 t -82.21 -39.24 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 1.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 106' ' ' TYR . 13.3 m-85 -76.19 -13.52 60.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 1.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.8 m -101.47 -11.02 19.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 1.0 110.362 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -94.74 20.39 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.92 44.55 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.8 m -110.25 165.21 11.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.574 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 24.9 m -104.94 162.88 12.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 1.0 108.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 36.7 t80 -150.63 113.21 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -102.45 -78.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 1.0 109.269 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.785 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER 88.15 -26.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 1.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.552 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 13.3 mt-30 -42.21 -21.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.572 HG12 HG13 ' A' ' 43' ' ' VAL . 97.9 t -106.06 101.9 36.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -75.04 129.1 12.0 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.16 -41.19 2.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.611 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -87.63 -175.43 0.58 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 1.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.611 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.1 123.7 8.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 1.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.785 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 33.3 m0 -82.17 -49.94 9.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 1.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 1.065 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.3 m -89.34 129.57 35.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 1.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.34 -167.89 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 110.965 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.544 ' HD2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -94.01 165.33 18.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.226 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.503 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.02 153.99 42.09 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.525 1.803 . . . . 1.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -120.62 71.57 19.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 1.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -148.38 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 52' ' ' ALA . 3.1 mt-30 -35.34 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -54.17 -13.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 53' ' ' GLN . 68.2 m -93.65 90.12 6.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.047 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 tt0 -48.12 96.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 1.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.6 pt-20 165.33 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.5 m -80.13 -4.17 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 108.21 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.3 t -62.34 107.39 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.93 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 34.3 mtm -154.72 146.28 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.555 ' NE2' ' OG ' ' A' ' 9' ' ' SER . 2.5 mt-30 -84.5 166.31 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 62' ' ' VAL . 13.5 p -60.84 83.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.3 m 158.99 -25.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.93 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -81.41 -19.21 43.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.484 ' CG ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -52.04 175.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 110.269 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 4.1 mmtm -131.92 4.88 4.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 41.4 t30 61.95 87.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.256 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.671 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 3.0 t -128.53 -173.46 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 1.0 108.319 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.27 -173.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -129.35 167.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 1.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 66.8 6.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 1.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -178.62 -36.52 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 1.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.518 HG21 ' SG ' ' A' ' 95' ' ' CYS . 14.2 tt -48.54 159.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -105.75 -178.25 0.59 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.611 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.08 -66.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 1.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -63.36 -12.59 31.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' ARG . 61.0 m-20 -91.21 -45.7 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 48.0 t -52.35 -62.27 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 1.0 108.346 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.81 82.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -69.21 -7.53 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -104.57 -57.65 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.738 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 6.7 m-20 151.23 107.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.738 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 66.0 m 120.55 149.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 1.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.773 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 77.1 m -74.31 165.11 25.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.7 t80 -142.46 105.03 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 t -135.62 100.9 4.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.578 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -83.46 -0.73 51.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.817 HG23 HD12 ' A' ' 89' ' ' ILE . 9.5 t -32.22 -37.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.817 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -114.79 107.67 50.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.03 140.01 24.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 1.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.2 mt-10 90.86 31.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 1.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -153.76 177.73 1.87 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.07 97.49 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 1.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.2 m0 -64.75 -38.22 90.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.773 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.1 m -95.12 107.38 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 1.0 108.292 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 3.5 p90 -120.95 -171.21 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.671 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 47.8 m-85 -108.38 130.46 22.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.177 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.3 Cg_endo -75.02 109.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 1.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.632 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER 162.37 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 1.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 99' ' ' MET . 5.2 p 98.51 171.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.547 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -33.35 -95.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 101' ' ' VAL . 18.5 mt-10 88.92 29.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.3 t0 -87.92 22.62 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -41.22 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.861 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -150.9 178.01 9.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 1.0 109.573 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 1.011 ' OH ' ' HA ' ' A' ' 4' ' ' ALA . 39.2 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 106' ' ' TYR . 1.9 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 17.9 Cg_endo -75.13 28.29 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.787 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 81.72 154.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.005 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -106.65 -15.9 14.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.514 ' SG ' HG21 ' A' ' 101' ' ' VAL . 36.2 m -66.5 -16.26 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.787 ' NE ' ' HB3' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -111.55 29.95 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.2 m -148.25 -58.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 108.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 96.9 p -46.73 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.454 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -76.32 52.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HG3' HD23 ' A' ' 50' ' ' LEU . 58.8 tt0 -75.77 -86.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.135 . . . . 1.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' A' ' 14' ' ' LYS . 6.7 t70 -150.43 146.19 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.98 32.54 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.4 mttt 163.8 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 1.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 1.3 m-80 -100.24 -11.96 19.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 17' ' ' VAL . 11.0 mtm105 43.63 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 16' ' ' ARG . 10.6 t -28.79 134.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 35.1 m-80 -103.52 158.76 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HB2' ' C ' ' A' ' 47' ' ' PHE . 3.9 t -131.61 56.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.3 -142.02 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 1.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.615 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.46 164.09 42.56 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 1.0 111.048 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.82 8.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 1.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.23 16.55 17.52 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.976 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.9 tt -75.18 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' SER . 7.8 p -131.53 -58.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 110.453 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER 177.08 -71.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.26 -60.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -56.47 -25.15 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' HD13 ' A' ' 24' ' ' ILE . 2.6 t -94.0 1.24 56.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 1.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.859 ' CE1' ' HD1' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -137.97 32.63 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 32' ' ' SER . 49.5 m -137.26 -108.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 1.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER -93.74 29.94 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -117.62 -93.65 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.556 1.16 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 29' ' ' CYS . 35.7 m -156.01 -156.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 10.4 m -89.61 165.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.612 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 25.8 t80 -150.69 80.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.9 t70 -98.04 96.89 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.61 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -93.28 38.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 1.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.81 -15.15 59.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.761 ' CG1' HG13 ' A' ' 43' ' ' VAL . 22.9 t -133.38 110.25 12.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.172 . . . . 1.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 5.01 4.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 1.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.62 4.11 27.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.484 1.115 . . . . 1.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.761 HG13 ' CG1' ' A' ' 40' ' ' VAL . 4.4 m -137.24 171.38 8.64 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.573 0.808 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.98 122.19 7.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.408 1.741 . . . . 1.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 2.1 m0 -82.06 -41.44 20.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 107.975 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.976 ' SG ' HG21 ' A' ' 24' ' ' ILE . 22.8 m -85.75 108.56 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 1.0 108.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -149.47 -171.66 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 111.067 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.528 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -89.51 153.56 48.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 1.0 109.419 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.541 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.615 1.85 . . . . 1.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 50' ' ' LEU . 1.7 pp -132.04 55.43 18.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 1.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 -176.98 3.16 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.532 1.806 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.646 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -175.8 87.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.646 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 150.75 172.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.63 8.61 5.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 1.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -144.84 166.38 25.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 1.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 58.6 mt-10 -111.8 104.2 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.254 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.454 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 175.74 -24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 110.29 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.523 ' O ' ' CE2' ' A' ' 96' ' ' PHE . 91.2 m -82.26 4.15 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 1.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 7' ' ' ARG . 1.6 t -71.76 125.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.724 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 2.5 mtm -163.77 151.08 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -71.38 167.42 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.551 ' CG1' HG21 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -62.58 -19.9 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -93.45 -15.03 26.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.724 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -75.6 -52.77 9.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.511 ' CD ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -40.37 165.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 110.314 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -150.85 43.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.561 ' O ' ' O ' ' A' ' 66' ' ' LYS . 5.0 p30 40.68 100.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 5.7 t -127.31 60.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.5 -164.89 33.73 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -119.16 159.05 46.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 1.0 110.984 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 60.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.792 . . . . 1.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -169.83 -36.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.561 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.0 tt -40.01 160.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 1.0 109.276 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.519 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -107.7 179.16 0.92 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 1.0 109.96 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.98 -55.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 16.5 mt-10 -70.22 -17.85 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' ARG . 16.3 m-20 -87.59 -45.33 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 74' ' ' SER . 42.8 t -51.36 -62.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.405 1.065 . . . . 1.0 108.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.33 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -80.14 8.56 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 14.4 mmt180 -118.24 -51.55 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.746 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 15.3 m-20 143.0 110.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.39 1.056 . . . . 1.0 109.381 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.746 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 94.9 m 123.11 148.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 1.0 108.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.734 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 87.7 m -70.99 163.98 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 108.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.648 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 21.3 t80 -140.28 103.28 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 42.4 t -134.12 95.29 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.591 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -79.45 -4.06 49.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.765 HG23 HD12 ' A' ' 89' ' ' ILE . 7.0 t -30.67 -38.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.765 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -113.04 106.93 54.7 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.07 139.83 24.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 1.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.6 OUTLIER 90.86 32.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 1.0 110.337 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 89' ' ' ILE . 1.3 m -153.31 175.43 3.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 96.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.9 m0 -62.77 -34.82 78.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.734 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 90.0 m -95.5 101.43 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 1.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.635 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 5.0 p90 -115.76 -170.75 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 1.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.634 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 64.5 m-85 -104.24 130.95 22.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.2 Cg_endo -75.01 156.91 42.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 1.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 158.03 -169.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.52 174.28 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 1.0 109.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.7 OUTLIER -130.64 -98.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 101' ' ' VAL . 12.8 tt0 91.0 20.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -117.42 -13.73 10.36 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.2 m -87.72 135.93 33.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 1.0 108.246 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 1.005 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 7.1 p-80 -91.83 176.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.569 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.859 ' HD1' ' CE1' ' A' ' 30' ' ' PHE . 46.9 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 4' ' ' ALA . 3.1 mttt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.586 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 18.5 Cg_endo -74.93 23.08 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 1.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.78 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 76.37 139.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.859 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . . . -89.47 -5.83 56.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 83.2 m -76.09 2.14 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 1.0 108.299 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.783 ' HB3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -129.76 24.85 5.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.212 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -136.39 -46.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 1.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 p -95.28 -1.4 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 1.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -113.41 -16.14 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.305 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.812 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 3.9 pt20 -61.53 -158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 2.4 t70 -85.02 145.51 43.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 1.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.99 81.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 93.07 104.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 1.0 109.378 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.924 ' O ' HG23 ' A' ' 17' ' ' VAL . 4.1 m-20 -112.24 -0.23 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.257 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 ttp-105 52.86 28.75 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 1.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 15' ' ' ASN . 38.5 t -124.0 155.09 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 20.7 t-20 -132.74 156.04 47.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 18' ' ' ASN . 8.3 t -140.08 67.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 1.0 108.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.16 -152.37 22.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.681 ' O ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -125.98 168.18 14.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 1.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -0.82 10.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.8 14.63 11.44 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.529 1.143 . . . . 1.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 21' ' ' PHE . 17.6 tt -72.19 164.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 1.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' ' C ' ' A' ' 26' ' ' SER . 81.9 p -128.68 127.65 42.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 1.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.637 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p -16.14 -70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.044 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -38.85 -67.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 25' ' ' THR . 21.9 mm-40 -53.66 -28.96 36.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 1.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 34' ' ' CYS . 6.9 t -90.69 3.49 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.347 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -138.94 31.67 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 32' ' ' SER . 87.2 m -133.33 -109.78 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 31' ' ' THR . 18.9 m -96.33 31.81 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 1.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.13 -90.33 1.39 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.455 1.097 . . . . 1.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 29' ' ' CYS . 8.4 m -155.47 -155.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 5.9 m -95.23 162.47 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 108.359 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.648 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 17.6 t80 -144.1 79.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 22.9 t70 -99.15 93.01 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -82.7 -8.51 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.424 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.4 mt-30 -54.66 -14.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 ' OD2' ' A' ' 37' ' ' ASP . 54.7 t -111.56 93.42 19.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.4 Cg_endo -74.97 138.27 22.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 1.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.43 -29.82 11.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.483 HG13 HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -102.45 175.69 2.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 0.723 . . . . 1.0 109.261 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.0 122.32 7.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.568 1.825 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 13.6 m0 -77.16 -44.47 30.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 24' ' ' ILE . 62.8 m -88.74 103.91 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 1.0 108.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.812 ' CZ ' ' NE2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -135.22 -175.7 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -94.78 129.96 34.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.499 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -74.94 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 1.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.935 ' O ' HG13 ' A' ' 59' ' ' VAL . 1.1 pp -136.8 60.23 28.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.09 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 1.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 58' ' ' CYS . . . -142.76 -153.27 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.486 ' O ' ' O ' ' A' ' 52' ' ' ALA . 77.1 mm-40 -50.91 -169.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.254 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -48.34 -17.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.572 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -54.13 -162.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 110.076 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 59' ' ' VAL . 17.0 tt0 -153.12 -43.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.38 20.69 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.0 110.281 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 55.7 m -87.56 -4.96 58.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 1.0 108.263 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 50' ' ' LEU . 1.3 t -63.59 124.08 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.642 ' HE3' ' CD2' ' A' ' 96' ' ' PHE . 3.6 mtm -164.74 128.92 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' SER . 7.3 mt-30 -68.55 162.83 24.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 62' ' ' VAL . 11.6 p -62.4 82.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 1.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 p 158.16 -24.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -83.08 -18.74 38.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -50.4 179.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tttm -131.21 -21.62 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 86.42 84.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 1.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.8 t -122.81 -168.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 108.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.68 -173.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 1.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -132.33 168.61 16.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 1.0 111.038 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 60.37 5.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 1.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.1 -39.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.451 1.095 . . . . 1.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.589 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.3 tt -47.03 162.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 1.0 109.399 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -107.11 -178.75 0.62 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 1.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.646 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -75.03 -71.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.426 1.751 . . . . 1.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 35.2 mt-10 -59.83 -12.81 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.1 m-20 -90.04 -53.11 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.533 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 53.4 t -47.0 -57.26 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 1.0 108.26 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -87.38 19.57 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 77' ' ' ASP . 13.4 mmm180 -130.65 -47.03 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.679 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER 150.84 117.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 1.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.679 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 61.3 m 104.95 152.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 1.0 108.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.732 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.3 m -76.84 166.61 23.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 108.356 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 18.7 t80 -142.28 106.14 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.504 1.128 . . . . 1.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 t -137.31 88.84 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.0 110.049 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.597 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -73.57 -2.87 24.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.787 HG23 HD12 ' A' ' 89' ' ' ILE . 6.8 t -32.39 -37.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.787 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -114.37 108.92 49.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 1.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 144.31 29.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 1.0 110.979 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER 86.22 33.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 89' ' ' ILE . 1.3 m -153.45 172.98 5.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.597 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 32.7 m0 -56.69 -35.09 68.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 1.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.732 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 63.4 m -93.41 98.86 11.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 11.4 p90 -116.32 -169.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 31.9 m-85 -107.73 145.9 32.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.79 39.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 1.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.405 ' SD ' ' SD ' ' A' ' 60' ' ' MET . 20.6 ptm -145.84 163.19 35.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 1.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.8 79.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.577 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -52.79 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.577 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 90.9 56.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 110.257 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -177.02 37.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 1.5 m -96.73 -69.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.685 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 2.7 p80 51.04 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 1.0 109.542 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.859 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 53.5 m-85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 1.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.624 ' HB3' ' OH ' ' A' ' 106' ' ' TYR . 2.8 mttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.641 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.96 -55.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 1.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.957 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . . . 167.4 112.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.228 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 104' ' ' CYS . . . -56.27 -12.95 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 104' ' ' CYS . 1.7 m -61.37 -54.6 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 108.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.957 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -84.93 42.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 1.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 2.8 m -146.28 -46.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.476 ' OG ' ' C ' ' A' ' 104' ' ' CYS . 28.7 p -105.9 65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' GLN . 2.6 tpp180 177.54 -31.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.354 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.672 ' O ' ' O ' ' A' ' 10' ' ' ARG . 13.8 tt0 -29.92 -105.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 4.3 t70 -153.81 145.91 17.09 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.76 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.01 49.58 2.3 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.481 1.779 . . . . 1.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.76 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 14.8 ttpp 132.21 99.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 1.0 109.339 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.648 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 1.3 m120 -137.3 1.39 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 48.82 61.89 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 1.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.842 HG12 ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -128.82 42.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 109.232 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 44' ' ' PRO . 64.6 t30 -56.7 144.35 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 40.7 t -141.23 15.47 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 108.232 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . -152.77 -150.31 5.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.115 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -129.2 162.44 52.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 1.0 110.908 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.17 9.22 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 1.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.56 10.51 28.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.404 1.065 . . . . 1.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.047 HG21 ' SG ' ' A' ' 46' ' ' CYS . 1.9 tt -67.96 -176.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 1.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 33.5 p -137.16 28.57 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 110.474 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.611 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . 24.4 p 65.82 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.492 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -41.85 -66.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -49.7 -22.26 1.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -86.88 -34.71 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 4.7 m-85 -82.25 33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 32' ' ' SER . 86.6 m -75.64 18.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 1.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 80.16 0.27 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.86 -53.5 1.03 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 1.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' CYS . 47.5 m -121.25 168.63 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.3 m -116.45 164.93 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 26' ' ' SER . 17.9 t80 -150.62 120.84 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 1.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.637 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -122.08 -75.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.657 ' HG ' ' HE3' ' A' ' 45' ' ' TRP . 4.0 m 97.73 52.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -85.79 -16.39 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.528 ' CG1' HG13 ' A' ' 43' ' ' VAL . 29.1 t -125.39 116.34 25.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.12 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 1.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.59 -53.59 0.6 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 1.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.726 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.1 m -67.4 176.79 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.726 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.99 117.6 4.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.441 1.758 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.657 ' HE3' ' HG ' ' A' ' 38' ' ' SER . 36.9 m0 -78.38 -31.25 48.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 108.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 1.047 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.4 m -87.46 108.77 19.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 108.383 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -131.44 -162.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.842 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -91.42 150.56 41.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.702 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 57.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 1.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.702 ' C ' ' O ' ' A' ' 49' ' ' PRO . 6.9 tt -7.61 77.04 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.688 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 1.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 51' ' ' PRO . . . 173.74 124.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 85' ' ' PHE . 7.6 mm100 65.35 160.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.86 -3.26 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -94.45 173.25 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 1.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE2' ' NH1' ' A' ' 7' ' ' ARG . 3.0 mt-10 -121.28 4.49 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.12 -17.99 11.78 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.457 1.098 . . . . 1.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 37.8 m -83.94 5.75 24.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 1.0 108.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG11 ' HD2' ' A' ' 7' ' ' ARG . 1.4 t -75.19 121.44 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.984 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 3.1 ptp 177.75 156.74 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 1.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' SER . 8.2 mp0 -83.73 165.46 18.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.435 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 40.7 t -49.77 -22.79 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' GLN . 32.6 t -98.12 51.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.984 ' HB3' ' HG3' ' A' ' 60' ' ' MET . . . -148.91 -51.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.544 ' HG3' ' CG ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -38.82 159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 1.0 110.347 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -122.53 39.39 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 1.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 5.2 p-10 36.14 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 2.7 t -118.78 -179.92 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.175 . . . . 1.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.13 -166.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.423 1.077 . . . . 1.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.684 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -129.75 166.7 24.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 1.0 111.066 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.7 7.42 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.458 1.767 . . . . 1.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.7 -9.82 34.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 1.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 70' ' ' TYR . 8.1 tt -80.03 162.35 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.744 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.72 -179.96 0.86 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 1.0 109.972 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.679 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.97 -74.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 1.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 11.8 mt-10 -56.53 -14.56 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 81' ' ' ARG . 4.1 m-20 -89.12 -51.17 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.501 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 50.4 t -46.5 -57.5 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 1.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.38 97.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -87.4 20.11 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.248 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 77' ' ' ASP . 40.3 mmt-85 -131.79 -48.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.692 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER 150.4 114.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.692 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.0 m 108.13 148.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 1.0 108.367 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.709 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 88.0 m -72.86 170.48 14.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 1.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.679 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.8 t80 -143.57 106.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.5 t -134.07 86.36 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.64 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -75.4 0.28 17.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.897 HG23 HD12 ' A' ' 89' ' ' ILE . 7.6 t -30.22 -38.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 1.0 110.37 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.897 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -121.16 133.67 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.95 149.06 36.38 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.469 1.773 . . . . 1.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.6 mt-10 87.61 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 89' ' ' ILE . 14.7 m -38.93 162.68 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.493 ' CB ' ' HA ' ' A' ' 67' ' ' ASN . 18.4 Cg_endo -74.95 90.38 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.558 1.82 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.64 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -48.81 -42.12 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 1.0 108.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.709 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.8 m -94.2 113.65 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.704 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 4.1 p90 -127.87 -170.65 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.633 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 93.4 m-85 -105.18 129.76 24.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.421 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.02 107.57 2.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.47 1.774 . . . . 1.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 ptm 169.98 -172.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.698 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 78.12 114.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.789 HG12 ' SG ' ' A' ' 104' ' ' CYS . 0.7 OUTLIER -161.17 -104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.26 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' H ' HG23 ' A' ' 101' ' ' VAL . 7.5 tt0 38.77 29.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.247 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' ' CZ ' ' A' ' 10' ' ' ARG . 1.6 p-10 -169.53 31.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 1.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.796 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 89.1 m -98.46 -25.34 14.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 104' ' ' CYS . 0.6 OUTLIER -30.97 148.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 1.0 109.618 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.794 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 56.1 m-85 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 1.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ALA . 10.3 mttt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.632 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.07 30.56 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.664 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 78.77 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 1.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . . . -97.79 -5.96 33.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' HG11 ' A' ' 101' ' ' VAL . 74.4 m -77.83 -4.11 44.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 108.322 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.664 ' NE ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -121.29 30.96 6.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 110.326 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 1.5 m -138.68 -51.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.419 ' HB3' ' CD2' ' A' ' 105' ' ' HIS . 77.1 p -90.57 -2.31 57.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 110.003 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -109.87 -3.36 16.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 110.255 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.772 ' NE2' ' CD1' ' A' ' 47' ' ' PHE . 6.4 mt-30 -60.74 -134.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 2.7 t70 -126.63 146.69 57.82 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 1.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.631 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.03 81.6 2.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.599 1.842 . . . . 1.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.631 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 98.59 100.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 1.5 m-20 -137.64 -45.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER 88.57 -157.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 18' ' ' ASN . 8.8 t 74.11 42.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 17' ' ' VAL . 4.4 t-20 -31.02 143.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 3.3 t -128.33 44.1 3.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 1.0 108.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.27 -124.41 0.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 1.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HG13 ' A' ' 24' ' ' ILE . 53.0 p90 -174.73 162.99 2.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 1.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 108.59 2.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.58 -1.06 11.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 1.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.972 HG21 ' SG ' ' A' ' 46' ' ' CYS . 6.3 tt -53.76 165.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.771 ' O ' ' N ' ' A' ' 27' ' ' ASP . 8.7 p -135.99 68.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.778 ' O ' ' N ' ' A' ' 29' ' ' CYS . 91.4 p 41.23 -78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.034 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 25' ' ' THR . 11.2 t0 -29.69 -70.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.37 -26.35 12.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 1.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.778 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.7 t -96.25 4.94 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -138.6 30.34 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.596 HG22 ' N ' ' A' ' 32' ' ' SER . 18.8 m -129.62 -108.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.596 ' N ' HG22 ' A' ' 31' ' ' THR . 1.1 p -94.76 31.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.03 -96.5 1.71 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.464 1.103 . . . . 1.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.596 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.3 m -151.83 -156.47 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 49' ' ' PRO . 1.6 m -90.83 166.81 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.398 1.061 . . . . 1.0 108.231 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 29.9 t80 -149.37 80.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 23.5 t70 -99.6 98.17 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.702 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 29.8 t -89.97 -8.26 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 1.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -49.53 -17.07 0.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.473 HG12 HG13 ' A' ' 43' ' ' VAL . 85.0 t -110.09 99.76 40.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 139.36 24.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 1.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.45 -34.25 5.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 1.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 HG12 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -95.98 171.49 6.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 1.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 Cg_endo -74.97 120.19 5.97 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.527 1.804 . . . . 1.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.702 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 12.8 m0 -73.97 -44.17 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.972 ' SG ' HG21 ' A' ' 24' ' ' ILE . 49.7 m -86.94 112.53 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.772 ' CD1' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -146.97 -177.44 5.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 1.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.547 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -85.75 133.98 40.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 34' ' ' CYS . 18.5 Cg_endo -74.96 -175.58 2.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 1.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 6.8 mt -135.16 60.85 42.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 -170.37 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.483 1.78 . . . . 1.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.796 ' HB3' ' HB2' ' A' ' 58' ' ' CYS . . . -171.83 -160.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 109.353 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 55' ' ' SER . 25.7 mm100 -28.99 147.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.39 61.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.628 ' N ' ' O ' ' A' ' 53' ' ' GLN . 66.8 m -163.29 107.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 1.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE2' HG21 ' A' ' 101' ' ' VAL . 1.4 tm-20 -58.46 96.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 1.5 pt-20 172.33 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 1.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.796 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 62.6 m -80.59 -37.41 31.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 108.26 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 58' ' ' CYS . 1.1 t -23.95 123.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.606 ' HE1' ' CD2' ' A' ' 96' ' ' PHE . 5.7 ptp 179.65 167.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 4.9 mt-30 -85.57 166.23 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.836 HG11 HG21 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -65.15 -9.57 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -109.76 -1.41 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB3' ' CG ' ' A' ' 60' ' ' MET . . . -83.96 -21.74 31.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 1.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' HG2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -74.06 163.53 27.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HG2' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -143.98 14.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 4.0 t-20 59.8 125.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.03 -43.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 108.247 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.72 -152.58 27.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 1.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.656 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -130.76 169.46 13.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 1.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.02 6.3 3.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 1.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.08 -34.62 4.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.576 1.172 . . . . 1.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.661 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.4 tt -54.71 163.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.561 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -103.57 -178.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 1.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.98 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -71.15 -35.85 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 110.259 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 81' ' ' ARG . 84.0 m-20 -65.31 -49.14 70.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 1.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 52.2 t -53.27 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.8 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.274 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -76.89 -0.72 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.7 mmt-85 -101.84 -52.33 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 110.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.745 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 1.7 m-20 148.66 113.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 1.0 109.274 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.745 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.2 m 118.23 164.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 108.394 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.738 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 84.5 m -82.21 163.1 22.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 108.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.656 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 34.6 t80 -142.94 94.45 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -124.43 94.91 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.6 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.0 p-10 -84.08 -4.07 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.939 HG23 HD12 ' A' ' 89' ' ' ILE . 9.2 t -32.17 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -116.13 106.51 49.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.646 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 141.56 26.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.646 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 95.64 25.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -149.29 172.97 4.61 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 1.0 109.374 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -74.94 101.29 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.522 1.801 . . . . 1.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.6 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -70.73 -40.84 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.664 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 87.9 m -88.56 94.42 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 108.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.738 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 25.7 p90 -119.24 166.92 12.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 68' ' ' CYS . 6.7 m-85 -81.85 143.03 49.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 1.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 97' ' ' PHE . 18.1 Cg_endo -75.03 106.66 2.32 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.56 1.821 . . . . 1.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.2 mmt -63.88 -94.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.27 -178.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.502 HG23 ' H ' ' A' ' 102' ' ' GLU . 3.1 m -137.38 -111.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 1.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.502 ' H ' HG23 ' A' ' 101' ' ' VAL . 3.9 tt0 51.75 40.37 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 1.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -169.6 29.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' ALA . 1.2 m -102.49 156.5 17.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 108.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.433 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.4 p-80 -164.05 161.3 22.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 1.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.968 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 16.7 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 1.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.636 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . . . -70.52 -144.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -122.07 -37.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 m -68.18 -10.37 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 1.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.886 ' HD3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -86.23 7.2 26.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 10' ' ' ARG . 1.6 m -136.18 -56.93 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 1.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' A' ' 9' ' ' SER . 5.9 p -51.58 86.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 1.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 72.89 26.14 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.256 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.614 ' NE2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -29.25 -65.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 2.9 t70 -118.17 146.29 38.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.05 61.84 5.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.443 1.759 . . . . 1.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 83.83 101.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 17' ' ' VAL . 5.2 m-20 -114.07 -26.89 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.1 7.03 5.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 1.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' NZ ' ' A' ' 48' ' ' LYS . 26.6 t -97.43 142.78 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 20' ' ' GLY . 4.1 t-20 -122.31 149.97 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 t -130.39 47.22 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . 174.07 -144.8 7.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.62 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -134.84 162.41 57.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 1.0 111.006 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.73 8.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.19 10.13 24.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.107 . . . . 1.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.017 HG21 ' SG ' ' A' ' 46' ' ' CYS . 5.4 tt -68.2 171.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASP . 16.1 p -128.82 35.09 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.633 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 24.7 p 65.36 -70.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 1.0 109.94 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 26' ' ' SER . 13.6 m-20 -39.83 -69.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -45.41 -25.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 110.265 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -84.83 -45.08 12.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 1.0 108.328 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.636 ' HE2' ' CZ ' ' A' ' 106' ' ' TYR . 4.8 m-85 -69.45 -8.15 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.01 -9.66 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -99.43 15.75 25.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.56 6.91 72.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 1.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' CYS . 38.0 m -112.39 159.54 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -98.14 175.33 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.694 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 17.9 t80 -150.89 83.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 1.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 9.1 t70 -101.77 89.99 3.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.598 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -77.65 -11.8 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 7.2 mt-30 -49.26 -18.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.642 ' CG1' HG22 ' A' ' 43' ' ' VAL . 59.6 t -113.56 90.45 17.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -74.98 3.46 5.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 1.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.2 3.18 37.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.573 1.171 . . . . 1.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.643 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.3 m -146.5 -176.33 0.54 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.643 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 120.84 6.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 1.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.598 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 4.5 m0 -67.65 -52.93 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 107.977 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 1.017 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.5 m -89.25 113.16 24.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CD1' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -141.58 -170.4 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' NZ ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.64 126.7 36.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.522 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 -171.72 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -129.85 59.68 46.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 154.59 42.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -147.49 -174.0 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 1.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 55' ' ' SER . 3.7 mt-30 -37.3 158.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.88 59.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 1.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' GLN . 19.0 m -129.24 62.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 98.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 5.2 pt-20 -178.75 -35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.799 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.8 m -82.5 -104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.886 HG11 ' HD3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER 34.93 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.735 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.6 ptp 178.49 153.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -64.28 166.69 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 1.0 110.358 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.552 HG11 HG11 ' A' ' 92' ' ' VAL . 33.1 t -58.48 -35.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.16 16.19 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -115.67 -10.36 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -91.2 12.07 21.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 1.0 110.239 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ARG . 1.2 mttt 28.55 -107.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -178.61 89.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 1.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.605 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 26.3 t -97.46 -80.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 108.331 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -47.88 179.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.63 ' CE1' ' HB ' ' A' ' 73' ' ' ILE . 14.7 p90 -120.74 169.31 9.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 1.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -74.95 79.3 2.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 1.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.553 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 167.24 -28.19 0.17 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 1.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.63 ' HB ' ' CE1' ' A' ' 70' ' ' TYR . 14.3 tt -59.72 160.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 0.749 . . . . 1.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.604 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -111.52 -176.65 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.641 ' HA ' ' CG ' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.93 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.56 1.821 . . . . 1.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.3 mt-10 -61.09 -11.11 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 1.0 110.217 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.533 ' HB3' ' CD ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.0 -54.67 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 1.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 74' ' ' SER . 4.3 t -43.0 -56.14 3.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.082 . . . . 1.0 108.327 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -90.36 25.35 2.26 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -147.61 -50.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.713 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER 146.91 118.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 1.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.713 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.6 m 110.28 147.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 108.373 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.861 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 5.5 m -78.79 169.94 17.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 1.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.641 ' CG ' ' HA ' ' A' ' 75' ' ' PRO . 10.5 t80 -145.33 101.6 3.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 88' ' ' THR . 31.3 t -131.81 87.46 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 110.018 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.6 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -76.07 -2.41 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.784 HG23 HD12 ' A' ' 89' ' ' ILE . 8.4 t -32.17 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.784 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -115.3 107.82 48.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 1.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.6 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.99 137.69 22.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.774 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 1.6 pt-20 93.42 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 1.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.1 m -153.72 178.01 1.76 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -75.02 95.6 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 1.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.6 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.0 m0 -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 1.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.861 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 18.3 m -99.16 127.59 45.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.735 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 1.0 OUTLIER -134.52 -166.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.605 ' CD1' ' SG ' ' A' ' 68' ' ' CYS . 41.3 m-85 -103.22 113.49 65.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 1.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.6 Cg_endo -74.95 107.08 2.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 162.09 -176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 110.947 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.574 ' O ' HG13 ' A' ' 101' ' ' VAL . 3.2 p 67.51 110.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 100' ' ' SER . 5.8 m -156.39 -117.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.477 ' H ' HG23 ' A' ' 101' ' ' VAL . 22.6 tt0 33.49 80.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 20.9 p-10 169.01 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 10.2 m -73.85 142.61 46.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.521 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 11.7 p-80 -166.7 -148.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.655 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.636 ' CZ ' ' HE2' ' A' ' 30' ' ' PHE . 10.4 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 1.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.687 ' NZ ' ' CE2' ' A' ' 106' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -61.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.436 1.756 . . . . 1.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 3' ' ' PRO . . . 162.36 110.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 109.232 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.615 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . . . -53.38 -22.95 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.766 ' SG ' HG12 ' A' ' 101' ' ' VAL . 58.0 m -53.25 -56.98 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 1.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.832 ' HE ' HG13 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -89.37 44.19 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.483 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 33.6 m -149.82 -46.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -83.14 44.28 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 61' ' ' GLN . 5.8 ttt180 177.12 28.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.701 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -51.57 -88.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 110.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 6.3 t0 -153.69 144.72 16.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.5 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.628 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.5 mtpp 153.86 104.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.6 m-20 -128.84 -39.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.44 0.58 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.5 t -103.62 138.6 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 2.5 p30 -138.93 156.96 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 1.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 35.8 t -118.93 38.96 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 1.0 108.283 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.47 -147.22 6.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 1.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -130.07 162.75 52.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.806 . . . . 1.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 1.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.87 8.1 23.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.988 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.5 tt -62.69 169.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.1 p -118.18 25.53 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 110.46 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.692 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 21.7 p 66.34 -69.0 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' OG ' ' A' ' 26' ' ' SER . 26.2 m-20 -41.33 -66.34 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -48.31 -23.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.535 ' SG ' HD13 ' A' ' 24' ' ' ILE . 1.8 t -84.68 -38.61 19.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.0 108.376 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 7.8 m-85 -71.8 -17.46 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.96 -5.69 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 1.0 110.347 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -96.4 20.9 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.069 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.54 6.11 53.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m -115.09 177.79 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -118.32 172.11 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 108.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CB ' ' A' ' 26' ' ' SER . 19.4 t80 -147.67 98.05 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 1.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 14.4 t70 -120.18 92.32 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.702 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 48.1 t -84.68 -6.33 59.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 1.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -49.6 -17.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.0 110.231 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 43' ' ' VAL . 73.7 t -112.7 95.63 33.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.209 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 138.58 23.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 1.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.05 59.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 1.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -128.25 177.33 2.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 1.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.702 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 16.3 m0 -77.44 -49.49 14.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.031 -1.1 . . . . 1.0 108.031 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.988 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.07 115.2 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 1.0 108.281 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.701 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -136.68 -166.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.666 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.62 117.28 51.1 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.459 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.0 Cg_endo -75.09 -177.59 3.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.483 1.78 . . . . 1.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.996 HD21 ' OE1' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -125.61 69.56 63.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 1.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.596 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.03 141.0 26.02 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 1.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -119.26 -177.0 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' ALA . 8.5 mt-30 -39.6 164.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 1.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -59.94 -6.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 53' ' ' GLN . 35.4 m -53.41 -38.17 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 1.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 45.27 52.03 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 1.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.33 -32.14 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 1.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 59' ' ' VAL . 88.3 m -83.64 -94.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.832 HG13 ' HE ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER 51.54 121.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.723 ' HG2' ' HB1' ' A' ' 64' ' ' ALA . 1.1 mtm 158.18 138.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.996 ' OE1' HD21 ' A' ' 50' ' ' LEU . 6.4 mm-40 -85.81 166.84 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 1.0 110.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 89' ' ' ILE . 20.6 m -56.89 -16.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.67 10.57 40.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 1.0 110.029 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.723 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -114.09 -29.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.524 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.79 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -156.23 -68.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 3.0 t30 149.93 108.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 2.3 t -122.21 -75.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 108.315 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -57.46 -170.27 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 1.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD1' ' HB ' ' A' ' 73' ' ' ILE . 6.8 p90 -124.06 165.54 23.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 1.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 86.16 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 1.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.495 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 157.42 -23.81 0.44 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.73 HG21 ' SG ' ' A' ' 95' ' ' CYS . 5.1 tt -54.21 175.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.754 . . . . 1.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -122.21 179.91 0.9 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.95 -57.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 1.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -76.07 -12.38 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 1.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -90.29 -48.35 7.2 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.522 ' HA ' HD11 ' A' ' 73' ' ' ILE . 54.1 t -52.43 -62.04 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.02 76.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 1.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -80.5 8.42 7.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.642 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.4 mmm180 -114.33 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 1.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.735 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 2.8 m-20 144.13 113.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.735 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.1 m 117.19 153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 30.8 m -72.05 164.03 26.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 1.0 108.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 36.7 t80 -141.15 99.35 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.3 t -121.4 94.88 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 110.03 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.645 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.1 p-10 -90.26 -4.12 57.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 1.008 HG23 HD12 ' A' ' 89' ' ' ILE . 9.0 t -33.92 -34.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 1.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.008 HD12 HG23 ' A' ' 88' ' ' THR . 0.8 OUTLIER -119.48 111.36 36.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.93 138.65 23.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.418 1.747 . . . . 1.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.1 mt-10 93.93 34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 89' ' ' ILE . 2.1 m -152.95 172.24 5.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.97 89.72 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 1.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.645 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 38.1 m0 -59.86 -38.62 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 1.0 108.021 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.73 ' SG ' HG21 ' A' ' 73' ' ' ILE . 88.1 m -93.8 103.31 15.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.654 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 7.8 p90 -121.01 -170.63 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 74.9 m-85 -95.94 158.1 34.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 1.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' MET . 18.4 Cg_endo -74.99 -9.6 20.86 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.479 1.779 . . . . 1.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PRO . 0.2 OUTLIER 37.31 -150.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 101' ' ' VAL . 7.0 t -142.29 177.17 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.766 HG12 ' SG ' ' A' ' 6' ' ' CYS . 5.0 m -111.74 -116.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 17.4 pt-20 33.98 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 1.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER 153.95 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 6.3 m -55.81 -80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.574 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 2.4 p80 54.52 154.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.687 ' CE2' ' NZ ' ' A' ' 2' ' ' LYS . 99.1 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' OH ' ' A' ' 106' ' ' TYR . 2.2 tmtm? . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.4 Cg_endo -74.99 -154.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.64 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . -97.65 -137.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.379 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 104' ' ' CYS . . . -133.95 -44.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -47.89 -34.93 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 108.362 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.733 ' CZ ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.01 27.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 110.35 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.9 m -149.79 -50.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 p -88.72 22.24 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 1.0 110.063 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -157.59 24.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 1.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.517 ' OE1' ' CG ' ' A' ' 47' ' ' PHE . 4.5 mt-30 -60.81 -141.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.537 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 3.5 t70 -99.06 147.01 32.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -75.01 68.12 5.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mttt 80.39 101.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.3 m-20 -123.36 -26.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 89.57 27.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.0 110.315 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.546 HG23 ' HB3' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -103.22 133.89 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 5.9 p30 -129.36 147.87 51.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -139.57 43.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.41 -141.67 3.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CE2' HD12 ' A' ' 24' ' ' ILE . 54.3 p90 -137.85 159.65 67.87 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.52 2.94 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 1.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.9 3.66 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.075 . . . . 1.0 111.036 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.673 HG21 ' SG ' ' A' ' 46' ' ' CYS . 10.0 tt -61.8 166.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 1.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.613 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 11.6 p -107.3 -52.92 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 1.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 2.8 p 156.12 -67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.37 -56.16 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -54.38 -25.97 27.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -83.78 -31.94 25.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 3.4 m-85 -81.1 -10.41 59.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -104.2 -9.99 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.73 7.88 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 1.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.9 14.79 80.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 1.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 73.3 m -115.25 -177.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -120.2 174.82 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 1.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 25' ' ' THR . 2.5 t80 -150.46 136.06 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.67 ' OD2' ' HB2' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -129.06 -77.44 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.824 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 32.9 t 79.34 -18.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 1.0 109.962 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.67 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 7.1 mt-30 -44.17 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 1.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 HG22 ' A' ' 43' ' ' VAL . 71.5 t -116.07 125.74 28.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.32 32.75 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 1.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 81.77 -68.28 3.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 1.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.558 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 2.6 m -45.04 169.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.04 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.591 1.837 . . . . 1.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.824 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 27.2 m0 -68.55 -50.24 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.673 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.61 129.33 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 1.0 108.276 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CG ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -147.32 -166.98 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -108.99 139.42 20.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.241 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.666 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.97 173.64 14.15 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 1.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 pp -122.29 59.94 12.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.1 Cg_endo -75.04 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.455 1.766 . . . . 1.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.37 131.07 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 63.45 166.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 110.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -4.73 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.64 161.21 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 95.2 mt-10 -133.23 101.73 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 3.7 pt-20 170.04 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.4 m -81.72 3.95 23.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.733 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 1.7 t -75.53 131.25 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.8 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 6.4 ptp 176.29 156.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 1.2 mt-30 -79.84 166.5 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.807 HG12 HG11 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -53.08 -19.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 1.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -100.66 48.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.8 ' HB3' ' HG3' ' A' ' 60' ' ' MET . . . -148.62 -38.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.674 ' NH1' HG12 ' A' ' 62' ' ' VAL . 5.3 ptt180 -48.27 -172.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 1.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 11.3 mtpp -143.57 -91.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 2.4 m-80 156.67 89.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 25.1 t -110.24 -94.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . -38.86 168.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.554 1.159 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -110.1 172.99 3.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 1.0 111.007 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.5 Cg_endo -74.98 49.01 2.13 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.454 1.765 . . . . 1.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.25 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.647 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.2 tt -44.97 161.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 0.765 . . . . 1.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -105.65 -177.34 0.49 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.635 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.03 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.1 mt-10 -61.1 -12.28 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 1.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.724 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -89.7 -53.09 4.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 1.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.563 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 43.3 t -48.09 -59.74 3.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.33 83.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 1.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -84.77 9.57 13.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 1.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -114.84 -45.9 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.711 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER 147.69 114.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.276 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 84.4 m 108.97 157.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.79 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 73.4 m -78.56 162.06 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 32.6 t80 -139.76 100.7 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.743 ' OG ' HG22 ' A' ' 88' ' ' THR . 41.0 t -128.34 85.0 2.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 1.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.742 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 6.1 p-10 -70.43 -13.35 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.378 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.743 HG22 ' OG ' ' A' ' 86' ' ' SER . 8.8 t -34.97 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.825 ' O ' HG22 ' A' ' 92' ' ' VAL . 3.4 mm -108.21 99.66 32.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.722 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.92 126.36 9.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 1.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.722 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 6.5 pt-20 109.68 15.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 89' ' ' ILE . 4.4 m -137.57 167.63 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 1.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.742 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 23.7 m0 -48.04 -37.76 15.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 107.988 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.79 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 99.0 m -91.23 88.37 6.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.383 1.052 . . . . 1.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.671 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 9.0 p90 -112.29 173.64 6.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 1.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 68' ' ' CYS . 72.1 m-85 -96.38 123.24 55.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 1.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.483 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.03 107.9 2.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 1.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.55 ' O ' ' CB ' ' A' ' 100' ' ' SER . 1.4 tmt? 171.76 144.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.2 m 155.6 158.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 1.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -30.44 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.7 ' H ' HG23 ' A' ' 101' ' ' VAL . 1.1 pt-20 93.55 23.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.368 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' CYS . 7.6 m-20 -61.57 -4.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.739 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.9 m -37.95 141.29 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 108.264 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.619 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 4.9 p-80 -139.4 -147.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 105' ' ' HIS . 8.4 m-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 8.9 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.719 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.05 -40.85 0.76 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 1.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.761 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . 159.74 -34.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.867 ' HA ' ' CE1' ' A' ' 106' ' ' TYR . . . 92.27 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 1.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 96.0 m -61.11 -15.55 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.666 ' CG ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -114.7 39.64 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.928 ' HB2' ' HE1' ' A' ' 106' ' ' TYR . 4.2 m -150.27 -61.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' ' 104' ' ' CYS . 86.1 p -66.49 -26.98 67.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 1.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -104.14 20.9 17.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 12.0 mm-40 -58.3 -108.29 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.493 1.12 . . . . 1.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' LYS . 9.5 t70 -152.28 145.92 17.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 1.0 109.381 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.6 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.483 1.78 . . . . 1.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.6 mttm 158.22 87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 4.4 m-20 -132.1 2.93 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.748 ' HG3' HG23 ' A' ' 17' ' ' VAL . 11.3 ptp180 43.48 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.748 HG23 ' HG3' ' A' ' 16' ' ' ARG . 4.8 t 85.29 132.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 1.0 109.346 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 15.3 p-10 -131.78 147.77 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 41.3 t -138.66 61.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.22 -135.41 1.92 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.466 1.104 . . . . 1.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.67 ' CE1' HD12 ' A' ' 24' ' ' ILE . 51.7 p90 -154.05 162.07 27.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 1.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 107.49 2.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.428 1.751 . . . . 1.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.5 5.11 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 1.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.67 HD12 ' CE1' ' A' ' 21' ' ' PHE . 5.9 tt -59.19 170.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.9 p -114.74 -55.28 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p 158.5 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 -58.58 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -52.86 -27.66 19.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 1.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.7 t -84.68 -30.22 24.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.868 ' CZ ' ' CD2' ' A' ' 106' ' ' TYR . 24.0 m-85 -89.09 0.18 56.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.407 1.067 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.2 m -106.18 -12.11 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -98.45 13.89 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.24 0.96 79.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -94.91 176.38 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 20.8 m -117.21 172.71 7.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 30.4 t80 -151.76 85.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.1 t70 -108.78 97.0 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.621 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 2.2 m -90.64 18.25 6.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.968 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.02 -14.72 17.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HG22 ' A' ' 43' ' ' VAL . 54.1 t -125.79 128.05 24.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.34 37.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 1.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 77.84 -69.12 2.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.443 1.089 . . . . 1.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.545 HG22 HG12 ' A' ' 40' ' ' VAL . 2.8 m -42.39 164.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -75.01 117.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 1.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 15.4 m0 -78.31 -44.72 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.647 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -88.43 111.82 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -142.14 -157.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.705 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.15 137.72 23.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 1.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.499 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.1 Cg_endo -75.04 -173.09 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 1.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' H ' ' HB3' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -132.21 64.52 72.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.02 143.58 29.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 1.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 51' ' ' PRO . . . 176.17 47.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 58' ' ' CYS . 33.3 mt-30 -161.14 140.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.13 52.08 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 m -165.57 -161.79 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -155.54 66.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 1.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -177.19 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 1.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.538 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 81.6 m -83.8 5.55 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.666 HG11 ' CG ' ' A' ' 7' ' ' ARG . 1.9 t -86.7 134.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.674 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 3.7 ptt? 179.25 179.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.678 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -78.33 149.66 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.595 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -43.01 -58.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 p -49.56 -31.23 10.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -67.68 -9.4 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.595 ' CD ' ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -70.56 172.34 8.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 110.334 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -172.02 103.2 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 1.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 66' ' ' LYS . 14.9 p-10 -37.63 120.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 97' ' ' PHE . 42.4 t -127.87 -3.72 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 1.0 108.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.654 ' CA ' HD21 ' A' ' 82' ' ' ASN . . . -155.94 -155.02 7.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 1.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.699 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -122.59 160.06 50.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.995 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.11 -4.1 56.62 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.516 1.135 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.599 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 1.1 tt -81.15 165.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 0.744 . . . . 1.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -94.26 175.66 2.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 1.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.631 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -91.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 1.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.3 mm-40 -41.91 -29.35 0.21 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 1.0 110.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 4.7 m-20 -72.72 -45.43 58.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.762 ' O ' ' N ' ' A' ' 82' ' ' ASN . 5.4 t -52.91 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 108.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -43.42 -35.38 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.067 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.568 ' O ' ' CG ' ' A' ' 81' ' ' ARG . . . -95.09 35.11 1.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.599 ' N ' ' O ' ' A' ' 78' ' ' CYS . 44.3 mtt-85 -168.94 -38.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.762 ' N ' ' O ' ' A' ' 78' ' ' CYS . 4.0 m120 -117.5 -110.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 60.4 m -135.27 -161.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.0 m -49.54 146.79 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.631 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.4 t80 -127.93 94.18 3.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.569 ' OG ' HG22 ' A' ' 88' ' ' THR . 11.7 t -123.99 100.0 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 1.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.627 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 4.7 p-10 -85.93 -9.37 57.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.721 HG23 HD12 ' A' ' 89' ' ' ILE . 2.6 t -31.28 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 1.0 110.451 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.802 ' O ' HG22 ' A' ' 92' ' ' VAL . 1.1 mp -108.75 109.81 61.21 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.94 143.9 29.84 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.583 1.833 . . . . 1.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 12.4 mm-40 88.21 29.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 1.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 89' ' ' ILE . 3.1 m -145.6 166.13 18.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 80.91 2.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.42 1.748 . . . . 1.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.627 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.2 m0 -45.23 -37.4 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.558 ' SG ' HG21 ' A' ' 73' ' ' ILE . 87.1 m -90.9 83.48 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 1.0 108.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 38.9 p90 -114.16 158.93 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 68' ' ' CYS . 72.6 m-85 -68.62 150.61 97.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.76 19.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 1.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.472 ' SD ' ' CE ' ' A' ' 66' ' ' LYS . 6.0 tpt 45.59 -130.74 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t -137.14 156.7 48.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 1.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.494 HG23 ' H ' ' A' ' 102' ' ' GLU . 12.1 m -125.82 -119.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 101' ' ' VAL . 9.3 tt0 36.26 33.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 1.0 110.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.4 t0 -147.43 18.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.47 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 31.7 m -84.65 -82.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 1.0 108.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 106' ' ' TYR . 4.0 p-80 38.11 -153.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0 109.594 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.928 ' HE1' ' HB2' ' A' ' 8' ' ' CYS . 16.5 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mttt . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.98 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 1.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.802 ' HB3' ' CD ' ' A' ' 7' ' ' ARG . . . 172.12 132.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 109.242 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -62.14 -22.0 65.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 109.371 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 37.9 m -56.12 -21.36 21.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 1.0 108.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.872 ' HG2' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -122.57 36.0 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 3.1 m -149.85 -70.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.4 ' HA ' ' OD2' ' A' ' 37' ' ' ASP . 54.1 p -57.57 -27.43 62.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 30.93 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' A' ' 50' ' ' LEU . 2.0 tp-100 -71.07 -125.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.9 t0 -142.82 138.68 16.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 1.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 45.96 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 1.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 159.55 102.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -132.9 -43.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . 1.4 mpp_? 61.2 58.13 2.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 1.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.594 HG11 ' HE3' ' A' ' 48' ' ' LYS . 2.9 t -150.54 39.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.484 ' OD1' ' CB ' ' A' ' 44' ' ' PRO . 5.8 t30 -35.25 149.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 1.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.75 35.0 3.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 108.325 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.91 -145.68 4.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 1.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.756 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -126.9 162.89 44.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 1.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -0.95 10.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.01 11.83 29.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 1.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.959 HG21 ' SG ' ' A' ' 46' ' ' CYS . 2.4 tt -69.91 177.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.9 p -125.73 -56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 5.8 p 161.97 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 110.083 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.7 -57.68 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 1.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -53.68 -26.47 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 110.297 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -82.72 -37.05 25.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 1.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 1.222 ' CD1' ' CE2' ' A' ' 106' ' ' TYR . 13.0 m-85 -80.36 -1.09 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m -120.34 -6.31 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -95.05 12.77 27.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 1.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.76 12.5 84.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' CYS . 67.5 m -121.9 179.38 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -116.67 172.08 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 1.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 16.4 t80 -149.44 98.01 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 1.2 t70 -119.25 100.53 7.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 1.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.59 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 1.3 m -93.35 27.42 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -68.57 -13.37 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 1.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.579 HG12 HG22 ' A' ' 43' ' ' VAL . 48.2 t -126.79 126.79 24.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.6 27.89 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.93 -70.33 2.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 1.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 40' ' ' VAL . 3.0 m -43.21 164.4 0.13 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.484 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . 18.2 Cg_endo -74.97 117.86 5.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 1.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 11.6 m0 -77.52 -41.35 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.959 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.5 m -89.14 109.75 20.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 1.0 108.245 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -138.44 -164.56 1.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -105.07 134.32 19.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 1.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.489 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 173.99 13.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 1.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -125.21 68.38 57.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.489 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.03 168.28 25.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 1.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.4 132.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 1.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 53' ' ' GLN . 2.0 mp0 59.29 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 1.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -73.3 -3.62 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 1.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.15 133.66 40.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 56.7 mt-10 -120.51 80.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 9.3 pt-20 166.34 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' SD ' ' A' ' 60' ' ' MET . 79.4 m -84.84 9.96 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 108.318 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.872 HG11 ' HG2' ' A' ' 7' ' ' ARG . 1.2 t -90.37 137.29 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.211 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.674 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -179.23 176.58 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 1.0 111.089 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 3.1 mt-30 -76.68 158.9 30.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.706 ' CG1' HD13 ' A' ' 89' ' ' ILE . 17.2 m -55.04 -35.3 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -76.39 -21.8 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 1.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -70.86 -43.85 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.505 ' HG2' ' CG ' ' A' ' 60' ' ' MET . 0.3 OUTLIER -66.48 135.21 53.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 110.248 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' PRO . 0.3 OUTLIER -93.93 -107.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.49 93.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 8.7 t -123.56 67.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.03 -172.26 34.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -120.32 160.49 43.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 1.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.53 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.485 1.782 . . . . 1.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -162.73 -38.77 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 1.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.1 tt -39.67 159.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.38 179.21 1.0 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.901 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.6 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.99 -62.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 1.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.63 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 9.9 mt-10 -71.04 -8.61 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 4.1 m-20 -90.41 -52.85 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.611 ' HA ' HD11 ' A' ' 73' ' ' ILE . 14.1 t -52.66 -59.97 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 108.335 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -42.98 74.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 1.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.23 12.08 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.055 . . . . 1.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.613 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 5.0 mmt85 -120.33 -48.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 1.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 2.6 m-20 145.79 114.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.723 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 113.45 150.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 108.28 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 72.9 m -71.45 165.16 24.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 20.5 t80 -142.69 104.55 4.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -127.57 84.73 2.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 110.065 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 88' ' ' THR . 17.8 p-10 -71.97 -4.76 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.0 109.298 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.615 HG23 HD12 ' A' ' 89' ' ' ILE . 3.6 t -22.96 -46.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 1.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.974 HG23 ' HD2' ' A' ' 90' ' ' PRO . 1.5 mp -114.13 150.86 44.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 1.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.974 ' HD2' HG23 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 1.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 1.042 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.0 pt-20 -47.91 75.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.042 HG13 ' O ' ' A' ' 91' ' ' GLU . 6.1 m -171.31 161.82 5.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 18.6 Cg_endo -74.97 84.8 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.8 m0 -48.25 -36.96 14.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 73' ' ' ILE . 94.8 m -101.93 126.04 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 6.7 p90 -139.52 -171.11 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 111.058 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 68' ' ' CYS . 78.9 m-85 -103.45 133.42 20.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.1 Cg_endo -75.03 169.11 23.32 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.557 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 85.5 -14.17 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 1.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.883 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -66.76 64.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.394 1.059 . . . . 1.0 109.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -171.44 -98.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 45.32 25.04 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' VAL . 0.9 OUTLIER -139.95 14.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -82.64 124.23 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 108.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.545 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 21.0 p-80 -144.36 173.7 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 109.644 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 1.222 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 3.8 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.568 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 1.1 mttt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.555 1.818 . . . . 1.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 1.185 ' CA ' ' OH ' ' A' ' 106' ' ' TYR . . . -175.32 -167.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -131.19 -24.35 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 74.5 m -73.68 -3.17 26.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 108.308 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.88 ' HG2' HG11 ' A' ' 59' ' ' VAL . 9.4 mtt85 -125.06 22.29 7.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.7 m -151.46 -41.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.332 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.78 -58.77 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 1.0 110.032 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' O ' ' CD ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -86.56 15.2 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.767 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 20.1 pt20 -60.77 -159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.325 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 3.4 t70 -82.89 146.03 51.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.07 80.99 2.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 1.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.617 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 97.9 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 1.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.5 m-20 -132.69 3.99 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.37 -153.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 1.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.73 HG12 ' NZ ' ' A' ' 48' ' ' LYS . 2.6 t 65.86 132.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 1.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 23.9 t-20 -126.31 132.59 51.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 48' ' ' LYS . 52.5 t -129.24 65.52 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 108.363 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.06 -133.27 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.41 1.069 . . . . 1.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 52.8 p90 -166.95 163.0 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 1.0 110.997 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 107.18 2.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.99 4.24 10.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.437 1.086 . . . . 1.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.896 HG21 ' SG ' ' A' ' 46' ' ' CYS . 6.5 tt -59.03 166.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 1.0 109.238 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.5 p -128.93 39.89 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.609 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 25.1 p 63.77 -69.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 1.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.2 t70 -38.44 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -44.57 -23.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 1.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -88.34 -42.93 11.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 108.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' PHE . 7.5 m-85 -82.71 5.97 19.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.6 m -116.25 -12.61 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.36 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.2 p -100.27 7.23 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.32 14.32 66.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 1.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 m -109.96 160.5 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m -100.79 174.09 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 108.247 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 8.1 t80 -149.8 107.38 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.4 t70 -132.93 92.33 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.676 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 3.0 m -88.82 43.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.95 -13.1 59.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.799 ' CG1' HG13 ' A' ' 43' ' ' VAL . 13.2 t -135.47 111.91 10.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 109.218 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 1.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.423 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -115.45 4.37 21.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 1.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.799 HG13 ' CG1' ' A' ' 40' ' ' VAL . 4.0 m -137.79 169.78 12.15 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 0.727 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 121.71 6.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 1.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 3.7 m0 -77.18 -41.96 39.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.963 -1.125 . . . . 1.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.896 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -87.27 109.74 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 108.265 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.767 ' CZ ' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -147.39 -153.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.73 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -121.29 154.57 58.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.513 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -75.06 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 1.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.898 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.37 71.04 24.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 1.0 109.231 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.01 -171.57 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 1.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.31 153.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 53.83 173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -10.07 25.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.84 174.84 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 110.052 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.515 ' O ' ' NH2' ' A' ' 7' ' ' ARG . 37.7 tp10 -124.69 -6.69 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.191 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -107.6 11.96 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -87.38 9.66 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 108.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 50' ' ' LEU . 1.6 t -76.92 126.2 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.604 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -170.93 119.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -64.77 161.02 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.0 m -57.82 79.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.5 m 157.72 -25.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.579 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -82.63 -26.12 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 96' ' ' PHE . 19.3 mtt180 -68.51 110.8 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.582 ' HE2' ' CD2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -86.37 18.39 3.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 1.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 50.1 t30 57.67 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.647 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 44.8 t -159.63 162.43 35.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.19 -149.37 48.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.605 1.19 . . . . 1.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CE2' ' N ' ' A' ' 73' ' ' ILE . 34.6 p90 -123.18 162.97 36.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 79.87 2.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 1.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.11 -28.45 0.2 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.489 1.118 . . . . 1.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.559 ' N ' ' CE2' ' A' ' 70' ' ' TYR . 9.5 tt -44.81 161.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 1.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -113.42 -177.16 0.42 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 1.0 109.989 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 -73.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -47.54 -21.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.57 -35.08 14.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 74' ' ' SER . 3.6 t -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.81 88.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . . . -61.49 -16.65 49.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.597 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -98.15 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 110.36 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 81' ' ' ARG . 8.1 m-20 148.01 55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 82' ' ' ASN . 93.8 m -160.98 146.96 14.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 108.399 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.85 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 81.2 m -83.13 132.81 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 108.372 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.65 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 9.3 t80 -118.22 105.8 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.53 ' OG ' HG22 ' A' ' 88' ' ' THR . 35.4 t -131.07 78.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.605 ' HA ' ' CD1' ' A' ' 94' ' ' TRP . 1.4 p-10 -69.67 -5.75 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.849 HG23 HD12 ' A' ' 89' ' ' ILE . 10.7 t -36.12 -31.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.849 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -121.15 106.32 38.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.6 Cg_endo -74.95 143.99 29.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.8 mm-40 92.59 26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 1.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -152.03 171.34 6.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.94 103.47 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.605 ' CD1' ' HA ' ' A' ' 87' ' ' ASP . 36.5 m0 -69.3 -45.96 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.85 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 16.4 m -89.95 100.89 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 108.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 5.0 p90 -122.26 -171.07 2.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 1.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.647 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 45.6 m-85 -106.17 144.26 28.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 1.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.2 ttm -94.84 159.72 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.9 t -98.91 165.31 11.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 1.0 109.937 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.45 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 2.2 m -59.73 -111.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 14.0 pt-20 43.17 73.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 1.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.3 p30 153.83 -26.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.456 ' SG ' ' OD1' ' A' ' 103' ' ' ASP . 1.8 m -100.17 159.22 15.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 108.247 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.469 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 21.1 p80 -162.02 159.38 26.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.616 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 1.185 ' OH ' ' CA ' ' A' ' 4' ' ' ALA . 55.2 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 1.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 4.8 mttp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.798 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.95 165.2 31.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 1.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.744 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . . . -50.44 141.61 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 1.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -81.97 1.08 37.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.22 -2.56 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.01 ' HG2' HG11 ' A' ' 59' ' ' VAL . 2.2 mtp180 -119.97 -3.71 10.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 1.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.885 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.0 m -106.87 -37.4 6.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 1.0 108.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 8' ' ' CYS . 34.0 p -29.23 74.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.885 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.5 ttp-105 39.96 25.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 1.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 7.8 mp0 29.23 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 110.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.619 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 9.6 t70 -133.66 148.27 67.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.619 ' HD2' ' OD1' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -74.97 93.58 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 1.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 95.21 68.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 1.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.583 ' OD1' ' OD1' ' A' ' 12' ' ' ASP . 9.9 m120 -162.93 -40.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 1.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -40.04 115.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 1.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' O ' ' A' ' 18' ' ' ASN . 3.3 t -106.88 28.31 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.534 ' O ' ' O ' ' A' ' 17' ' ' VAL . 1.4 t-20 55.48 152.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 1.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 51.4 t -140.79 12.47 2.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.57 -140.36 3.3 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 24' ' ' ILE . 1.6 p90 -122.54 161.21 44.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 1.0 110.975 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 108.91 2.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 1.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.49 -15.29 8.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 21' ' ' PHE . 11.9 tt -41.82 159.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 0.797 . . . . 1.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 26' ' ' SER . 43.2 p -93.72 -104.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 1.0 110.357 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 61.7 p -149.47 -68.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 1.0 109.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -41.7 -61.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -51.3 -28.38 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 1.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' SER . 14.9 t -84.07 -37.09 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.861 ' CE1' ' HD2' ' A' ' 106' ' ' TYR . 7.7 m-85 -90.13 30.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 32' ' ' SER . 87.2 m -76.62 21.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER 78.54 0.96 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.957 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.81 -50.39 1.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.568 1.167 . . . . 1.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 37.5 m -130.45 175.83 8.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.5 m -112.64 164.34 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 108.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.573 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 40.3 t80 -144.67 103.88 3.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.673 ' OD1' ' C ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -98.4 -61.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.597 1.186 . . . . 1.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.665 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.2 72.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 1.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.0 mt-30 -131.53 -4.01 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.809 ' CG1' HG22 ' A' ' 43' ' ' VAL . 15.4 t -127.3 117.21 21.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 85.26 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.468 1.773 . . . . 1.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.58 -61.55 0.34 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.576 1.172 . . . . 1.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.809 HG22 ' CG1' ' A' ' 40' ' ' VAL . 29.2 m -63.24 169.91 3.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.453 0.737 . . . . 1.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.682 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.91 115.9 4.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.788 . . . . 1.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 30.9 m0 -68.03 -47.48 68.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 1.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 24' ' ' ILE . 2.5 m -87.51 106.47 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.648 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -126.78 -169.75 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.647 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -79.5 149.16 71.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.736 ' O ' ' N ' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.01 50.25 2.48 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD12 ' CG ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER 2.45 65.46 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.736 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.97 177.35 8.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 1.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -162.11 -157.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 1.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.492 ' O ' ' O ' ' A' ' 52' ' ' ALA . 20.5 mm100 -37.44 161.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 1.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -52.64 -14.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 53' ' ' GLN . 7.3 m -66.81 175.35 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.2 mt-10 -148.66 77.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.6 pt-20 163.58 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 60.2 m -83.01 3.03 31.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 108.336 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 1.01 HG11 ' HG2' ' A' ' 7' ' ' ARG . 1.5 t -75.06 117.85 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.623 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 31.8 mtm -157.16 171.08 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.542 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 2.8 mt-30 -83.16 160.1 21.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.957 HG12 HG21 ' A' ' 89' ' ' ILE . 3.0 m -48.08 -51.97 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.505 ' N ' ' CG2' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -63.12 -24.82 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 109.98 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -72.26 -56.29 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 60' ' ' MET . 1.6 mtt180 -55.5 119.01 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' PRO . 6.5 tptt -78.96 -111.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 5.9 t-20 -169.07 123.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' CYS . 42.9 t -121.01 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 1.0 108.352 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.28 -152.72 0.27 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.538 1.149 . . . . 1.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 19.1 p90 -123.79 160.81 49.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.4 0.706 . . . . 1.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 1.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.24 -15.0 2.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.793 HG21 ' SG ' ' A' ' 95' ' ' CYS . 4.2 tt -61.25 165.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 109.353 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.622 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -117.78 -175.57 0.33 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 74' ' ' SER . 18.5 Cg_endo -74.93 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 1.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 66.38 -58.13 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 1.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 28.4 m-20 -66.99 -26.64 66.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.64 ' SG ' ' CD1' ' A' ' 85' ' ' PHE . 35.2 t -69.16 -71.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -49.0 -31.7 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.551 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -44.07 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.551 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.22 46.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.336 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.601 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 12.5 m120 -138.4 17.56 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.659 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 25.6 m 73.75 -165.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 68.7 m -59.27 162.22 4.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 1.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' ' SG ' ' A' ' 78' ' ' CYS . 11.2 t80 -142.64 105.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.564 ' OG ' HG22 ' A' ' 88' ' ' THR . 33.2 t -131.84 88.61 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.667 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -73.59 -8.97 58.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.564 HG22 ' OG ' ' A' ' 86' ' ' SER . 10.1 t -34.93 -34.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.957 HG21 HG12 ' A' ' 62' ' ' VAL . 4.2 mm -106.82 101.68 38.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 1.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.08 140.21 24.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 1.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.476 ' C ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 mt-10 85.06 32.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.661 ' CG1' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -153.23 179.1 1.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.31 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.02 106.33 2.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.667 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 46.2 m0 -75.12 -40.98 59.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.793 ' SG ' HG21 ' A' ' 73' ' ' ILE . 75.2 m -91.11 93.97 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.623 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 30.8 p90 -115.24 167.52 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 1.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.659 ' CD1' ' SG ' ' A' ' 83' ' ' CYS . 68.9 m-85 -85.05 142.47 38.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.1 Cg_endo -75.04 -8.02 19.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 1.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.3 ptt? -75.26 149.92 38.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 99' ' ' MET . 2.1 p 153.17 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 1.0 109.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.598 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -35.58 -90.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 2.9 mm-40 94.77 12.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.0 p-10 -101.65 17.68 22.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -39.56 151.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.751 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -142.34 165.37 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.596 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.861 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 39.6 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 tttt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -74.96 -179.47 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 1.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 106' ' ' TYR . . . -59.92 -117.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -158.07 -42.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 1.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -54.49 -16.93 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 1.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.529 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.6 ptm180 -102.69 22.72 13.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.8 m -150.59 -39.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 108.267 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.541 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 57.6 p -52.76 -114.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 109.957 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.612 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -75.8 -0.99 22.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.612 ' C ' ' O ' ' A' ' 10' ' ' ARG . 17.4 mt-30 19.67 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 1.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -128.79 153.07 79.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.0 74.8 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 1.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 3.8 ttpp 89.11 91.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 2.9 m-20 -130.69 -0.26 4.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.824 ' HG3' HG23 ' A' ' 17' ' ' VAL . 2.7 ptp180 39.4 -148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.824 HG23 ' HG3' ' A' ' 16' ' ' ARG . 75.8 t 76.34 143.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -130.04 145.54 51.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.6 t -137.53 50.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 108.351 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.42 -138.79 2.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 1.0 111.031 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 44.8 p90 -150.46 163.46 24.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 1.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.85 6.19 12.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.965 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.0 tt -60.19 176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 1.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.6 p -121.26 -54.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 2.9 p 158.16 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.2 m-20 -43.91 -56.09 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -56.1 -26.61 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.4 t -83.72 -30.03 27.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 108.353 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 4.1 m-85 -88.87 -10.81 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.2 m -104.05 -7.98 19.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 1.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -94.23 16.25 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 15.25 80.22 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.8 m -115.25 167.48 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -103.47 164.51 11.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 108.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 38' ' ' SER . 2.6 t80 -149.91 143.39 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -127.89 -84.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.705 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 4.7 p 91.84 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.397 1.061 . . . . 1.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 11.6 mt-30 -46.48 -17.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.684 ' CG1' HG13 ' A' ' 43' ' ' VAL . 86.5 t -111.28 93.45 18.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.5 Cg_endo -74.95 5.21 4.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.418 1.746 . . . . 1.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.9 1.27 35.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 1.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.684 HG13 ' CG1' ' A' ' 40' ' ' VAL . 1.4 m -143.75 179.01 1.26 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.05 121.73 6.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.705 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 4.7 m0 -65.93 -51.9 54.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.499 1.124 . . . . 1.0 108.03 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.965 ' SG ' HG21 ' A' ' 24' ' ' ILE . 4.4 m -87.71 121.92 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -151.77 -167.54 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.5 168.57 9.37 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 154.84 42.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 1.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.683 ' N ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -81.22 -41.55 1.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 27.0 mm100 67.4 167.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 110.325 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.2 59.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLN . 3.9 p -84.38 -91.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' ' NH1' ' A' ' 7' ' ' ARG . 11.0 mt-10 75.12 30.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' CG ' ' C ' ' A' ' 56' ' ' GLU . 3.1 mt-10 -155.31 -39.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 88.2 m -84.18 8.91 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 108.308 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.592 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 2.0 t -76.24 118.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 1.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.716 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -161.61 135.95 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 63' ' ' SER . 33.2 mt-30 -80.07 165.85 22.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.165 . . . . 1.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 62' ' ' VAL . 14.5 p -58.54 79.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.3 m 157.83 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 1.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -85.08 -17.01 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 96' ' ' PHE . 1.5 mmt-85 -58.42 -156.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -168.55 31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' A' ' 66' ' ' LYS . 39.2 m-80 31.73 93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.679 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 1.8 t -120.44 -162.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 45.2 -172.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.663 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 51.5 p90 -127.77 165.77 27.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 1.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.1 Cg_endo -75.0 76.72 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 1.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 168.41 -28.81 0.15 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 1.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.4 tt -57.79 165.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.567 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -129.88 -178.17 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.91 164.73 32.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 1.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.4 mt-10 70.16 -44.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.0 m-20 -75.63 -57.31 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 30.0 t -43.41 -52.29 6.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.0 108.318 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.72 87.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -90.08 23.6 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 77' ' ' ASP . 17.7 mmm180 -136.99 -43.24 0.57 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER 153.1 114.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 1.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 48.3 m 100.83 145.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.665 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 97.0 m -73.65 168.83 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 1.0 108.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 11.6 t80 -143.56 108.35 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.6 t -137.22 87.26 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.631 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -77.4 -2.64 36.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.892 HG23 HD12 ' A' ' 89' ' ' ILE . 10.5 t -34.18 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.892 HD12 HG23 ' A' ' 88' ' ' THR . 1.6 mt -121.63 128.69 25.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 1.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.94 156.31 43.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 1.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER 83.77 -73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 1.0 110.231 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.515 ' CG1' HG23 ' A' ' 62' ' ' VAL . 1.8 m -39.17 164.6 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.98 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.631 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 43.5 m0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.999 -1.112 . . . . 1.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 32.2 m -94.09 104.32 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 108.297 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 7.1 p90 -123.0 -170.48 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 1.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.679 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 5.3 m-85 -102.44 144.89 29.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 97' ' ' PHE . 18.6 Cg_endo -74.95 115.11 4.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.433 1.754 . . . . 1.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.91 87.79 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -44.63 132.46 6.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.017 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -106.16 -101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.2 tt0 89.68 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 1.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -36.79 -37.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -55.45 -177.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.752 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.9 p-80 -144.88 -174.96 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 1.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 4' ' ' ALA . 3.2 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 1.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.65 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 174.42 12.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.72 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -37.46 -46.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.276 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . . . 88.47 -10.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' SG ' HG12 ' A' ' 101' ' ' VAL . 1.7 m -87.24 13.47 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.574 ' CD ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -133.67 19.94 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 35' ' ' CYS . 3.7 m -117.66 -51.76 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 1.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 p -89.77 -0.02 57.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.45 ' NH1' ' OD2' ' A' ' 103' ' ' ASP . 6.3 tpm_? -103.57 -23.12 13.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 mt-30 -49.83 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.551 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t70 -100.57 148.6 35.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.667 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.0 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 1.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.667 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 104.45 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -160.54 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -111.69 157.66 20.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 1.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 18' ' ' ASN . 1.5 t -80.01 -175.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.639 ' H ' HG12 ' A' ' 17' ' ' VAL . 2.7 p-10 -91.87 156.92 17.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 46' ' ' CYS . 51.0 t -139.83 43.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.5 -147.03 6.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.84 166.34 25.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 1.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.37 6.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.592 1.838 . . . . 1.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.68 7.3 20.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 1.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.034 HG21 ' SG ' ' A' ' 46' ' ' CYS . 3.7 tt -62.56 173.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASP . 17.0 p -131.3 39.7 3.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 30' ' ' PHE . 53.7 p 62.73 -71.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 25' ' ' THR . 25.8 m-20 -38.64 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -46.54 -23.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 1.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.9 t -88.58 -37.65 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 3.4 m-85 -88.36 36.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' SER . 85.6 m -69.02 19.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 30' ' ' PHE . 2.0 t 78.87 -0.81 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.84 -55.66 0.65 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 1.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -105.38 162.0 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.3 m -107.4 169.72 8.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 1.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 46.2 t80 -151.73 102.74 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.644 ' C ' ' H ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -96.55 -60.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.718 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER 67.98 -34.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.644 ' H ' ' C ' ' A' ' 37' ' ' ASP . 13.0 mt-30 -48.94 -14.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG12 HG13 ' A' ' 43' ' ' VAL . 97.7 t -107.73 99.16 28.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.3 Cg_endo -74.96 134.69 18.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.429 1.752 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.71 -36.14 4.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.579 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -93.07 179.7 1.24 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 1.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.96 119.55 5.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.764 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.718 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 36.1 m0 -72.62 -51.44 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.02 -1.104 . . . . 1.0 108.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 1.034 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -93.32 104.2 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 1.0 108.351 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 45' ' ' TRP . 3.0 p90 -134.4 -166.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.736 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -88.99 161.47 40.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 1.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.547 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -74.95 159.98 40.85 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 1.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -121.65 68.25 22.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.547 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 174.43 12.79 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 1.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . 175.51 38.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER 158.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 1.0 110.322 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.22 2.97 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 1.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 58.5 m -69.07 -53.1 22.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.999 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.687 ' CG ' ' HB2' ' A' ' 4' ' ' ALA . 3.5 tt0 86.81 13.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 1.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.09 -22.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.0 m -83.02 1.13 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 108.374 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 7' ' ' ARG . 1.5 t -65.09 123.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.658 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -167.42 150.97 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 1.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 9.8 mt-30 -73.24 160.15 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 1.0 110.317 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 HG11 ' A' ' 92' ' ' VAL . 32.6 m -50.94 -46.93 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 1.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 62' ' ' VAL . 2.5 t -70.15 -23.12 62.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -68.97 -58.45 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 26.0 mtt180 -50.8 104.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.484 ' HG3' ' CD1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -57.4 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.408 ' H ' ' CG ' ' A' ' 66' ' ' LYS . 13.8 t-20 171.21 106.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.7 t -125.25 -157.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 1.0 108.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 43.19 -168.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 1.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.659 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 40.9 p90 -130.63 164.79 39.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 1.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.0 86.58 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.549 1.815 . . . . 1.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.69 -21.29 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 1.0 110.989 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.659 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.2 tt -64.18 163.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.607 ' C ' ' CE2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -125.9 -177.37 0.57 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 110.048 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.1 Cg_endo -74.96 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 tt0 67.92 -52.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 1.0 110.274 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.606 ' O ' ' N ' ' A' ' 81' ' ' ARG . 67.4 m-20 -64.38 -59.52 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.431 ' SG ' HD13 ' A' ' 73' ' ' ILE . 8.5 t -45.52 -55.68 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.16 94.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -88.47 19.46 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 77' ' ' ASP . 67.7 mtt-85 -131.74 -42.97 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.658 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 1.7 m-20 149.87 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.658 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 60.8 m 104.41 139.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.614 1.196 . . . . 1.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.612 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 96.8 m -66.45 167.58 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 108.313 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CE2' ' C ' ' A' ' 74' ' ' SER . 20.0 t80 -142.17 105.62 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -132.92 92.03 2.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.608 ' O ' ' C ' ' A' ' 88' ' ' THR . 12.3 p-10 -75.05 0.12 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 1.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.608 ' C ' ' O ' ' A' ' 87' ' ' ASP . 3.4 t -19.63 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.752 HG22 HG22 ' A' ' 92' ' ' VAL . 1.2 mp -123.99 146.84 52.32 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -33.21 4.85 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.86 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -94.16 61.56 2.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.6 1.187 . . . . 1.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 91' ' ' GLU . 17.9 m -165.18 160.08 14.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HG2' ' CB ' ' A' ' 65' ' ' ARG . 18.0 Cg_endo -75.08 80.35 2.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.551 1.816 . . . . 1.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.7 ' NE1' ' O ' ' A' ' 89' ' ' ILE . 32.5 m0 -39.91 -47.01 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 1.0 107.996 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 73' ' ' ILE . 24.0 m -94.83 112.33 24.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.0 108.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.658 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 19.5 p90 -135.66 -172.98 3.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 1.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 6.6 m-85 -103.08 158.21 32.22 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 1.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 100' ' ' SER . 18.3 Cg_endo -74.97 -16.02 20.52 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.516 1.798 . . . . 1.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.536 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER 58.77 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.4 m 157.11 179.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 103' ' ' ASP . 2.7 m -99.61 -111.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.7 OUTLIER 57.67 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 101' ' ' VAL . 7.7 t70 -44.76 -31.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 2.7 m -71.58 -77.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.445 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 20.8 p-80 36.87 -156.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.131 . . . . 1.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 1.276 ' CZ ' ' HB2' ' A' ' 5' ' ' ALA . 1.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.461 ' HD3' ' CD2' ' A' ' 106' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.772 ' HG2' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.91 -77.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.734 ' O ' ' CE2' ' A' ' 106' ' ' TYR . . . -163.35 -103.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . 171.45 -37.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.438 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 62.1 m -57.97 -13.22 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 108.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.834 ' HB3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -113.41 22.7 13.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 110.236 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.15 -66.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 108.244 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 2.3 p -84.73 57.45 4.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 1.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.726 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER 174.77 -19.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 1.0 110.358 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.726 ' O ' ' O ' ' A' ' 10' ' ' ARG . 14.0 tt0 -43.83 -119.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.465 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 1.9 t70 -152.97 147.81 19.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.772 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.97 74.43 3.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.772 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.0 ttpp 117.14 91.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -158.31 -42.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -114.91 169.29 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 1.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' H ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -97.25 178.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 8.6 t-20 -78.06 139.6 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.534 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 39.5 t -127.43 51.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.86 -150.13 8.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 1.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -127.48 164.03 38.73 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.95 8.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 1.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.94 7.51 23.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 1.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.803 HG21 ' SG ' ' A' ' 46' ' ' CYS . 5.3 tt -65.13 174.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 0.749 . . . . 1.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.0 p -124.29 -51.19 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 1.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 6.8 p 160.23 -72.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -61.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.246 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -51.05 -25.14 4.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 t -85.64 -34.94 21.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 1.0 108.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.862 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 9.5 m-85 -86.77 2.08 50.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 1.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -109.82 -11.84 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -98.75 14.3 29.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 1.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.31 86.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 1.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 m -101.42 169.88 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -110.05 174.11 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 33.0 t80 -147.35 89.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 1.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.3 t70 -111.1 81.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.63 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -75.97 -13.3 60.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 1.0 109.966 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.1 mt-30 -49.81 -17.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.693 ' CG1' HG22 ' A' ' 43' ' ' VAL . 93.7 t -113.66 91.71 21.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.535 1.808 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.46 3.21 30.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 1.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.693 HG22 ' CG1' ' A' ' 40' ' ' VAL . 1.5 m -145.89 -175.57 0.48 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.654 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.05 124.52 8.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.63 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 5.5 m0 -73.22 -52.94 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 107.991 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.803 ' SG ' HG21 ' A' ' 24' ' ' ILE . 3.8 m -91.91 109.78 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 1.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -142.59 -158.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 111.043 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.722 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.31 137.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.512 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.91 -179.74 5.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.45 1.763 . . . . 1.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.81 ' O ' HG13 ' A' ' 59' ' ' VAL . 1.9 pp -126.92 64.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 -171.82 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.896 ' HB3' ' CB ' ' A' ' 55' ' ' SER . . . -133.53 -175.31 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.644 ' C ' ' H ' ' A' ' 55' ' ' SER . 1.6 mt-30 -58.05 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 59.04 -4.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.896 ' CB ' ' HB3' ' A' ' 52' ' ' ALA . 2.2 m -37.19 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . 11.9 mt-10 64.64 53.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 5.2 pt-20 164.12 -33.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.475 ' O ' ' HE3' ' A' ' 60' ' ' MET . 71.7 m -85.41 7.28 23.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 1.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' ' 7' ' ' ARG . 4.8 t -68.29 131.52 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.717 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.9 ptp 177.12 149.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' ALA . 1.7 mp0 -80.16 159.83 25.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 1.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 89' ' ' ILE . 7.5 p -49.65 -28.91 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 1.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -91.31 30.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 1.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -126.31 -61.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.55 ' NE ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -36.22 155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -111.9 -92.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.572 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 11.9 t30 173.23 113.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 1.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.5 -84.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 108.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.32 -147.22 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 1.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.689 ' CZ ' HD12 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -122.96 157.03 61.5 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 1.0 111.064 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 83.71 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.5 -26.44 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 1.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.689 HD12 ' CZ ' ' A' ' 70' ' ' TYR . 10.4 tt -46.63 161.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 1.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.543 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -80.67 -179.99 1.67 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.06 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.688 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.91 -90.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 6.9 pt-20 -46.79 -33.75 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.02 -30.43 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.544 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 47.6 t -77.52 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.18 . . . . 1.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 78' ' ' CYS . . . -35.99 -34.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.363 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -38.04 -69.19 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.586 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -149.22 50.25 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 110.344 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.544 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 15.3 m120 -142.0 28.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 9.3 m 72.91 -162.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 1.0 108.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.634 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 63.8 m -66.19 162.82 19.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 1.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 75' ' ' PRO . 47.4 t80 -144.47 94.43 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.472 ' HB3' ' HE1' ' A' ' 96' ' ' PHE . 22.9 t -125.42 100.74 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.579 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -81.35 -3.59 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 1.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.808 HG23 HD12 ' A' ' 89' ' ' ILE . 9.5 t -29.69 -41.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.183 . . . . 1.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.808 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -109.41 106.0 57.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 1.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.598 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 139.62 24.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.567 1.825 . . . . 1.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.26 30.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 1.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.548 ' CG1' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -152.57 174.99 3.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.55 ' HD2' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.07 95.54 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 1.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -61.86 -37.93 86.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 1.0 108.038 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.68 ' SG ' HG21 ' A' ' 73' ' ' ILE . 65.7 m -89.27 94.08 9.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.717 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 36.5 p90 -116.15 169.25 9.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 67' ' ' ASN . 71.1 m-85 -86.25 153.33 56.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 1.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.57 87.0 7.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' VAL . 7.3 p -40.95 157.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.472 HG23 ' H ' ' A' ' 102' ' ' GLU . 1.5 m -54.91 -107.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 70.22 -73.1 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -72.42 -14.63 61.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -100.19 136.15 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 108.349 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -161.66 179.27 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 1.0 109.627 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.862 ' CE1' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 1.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.625 ' CE ' ' CE1' ' A' ' 106' ' ' TYR . 2.0 mmmm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.271 -0.641 . . . . 1.0 109.271 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.706 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.95 -34.7 3.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' A' ' 5' ' ' ALA . . . 161.28 -105.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . 161.75 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -69.66 -4.03 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 108.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.52 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -121.74 17.11 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 1.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HA ' ' HG3' ' A' ' 11' ' ' GLN . 1.7 m -132.19 -42.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -92.09 -20.39 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 1.0 109.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.548 HH22 ' HB1' ' A' ' 64' ' ' ALA . 4.3 ttt180 -90.69 -22.72 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 110.281 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 6.6 mt-30 -46.75 168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.451 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 6.0 t70 -91.01 145.67 32.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.716 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.1 85.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 1.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.716 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 15.3 ttmt 108.32 81.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -162.37 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 1.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.624 ' HG3' ' CG ' ' A' ' 47' ' ' PHE . 5.6 mmp_? -57.15 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 18' ' ' ASN . 1.4 t -138.78 32.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.1 t-20 60.87 142.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 1.0 109.237 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.5 t -140.99 60.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.19 -148.92 13.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.64 ' O ' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -129.07 164.73 37.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 1.0 111.016 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.98 2.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.526 1.803 . . . . 1.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ILE . . . 118.75 -9.62 12.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 1.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 21' ' ' PHE . 8.4 tt -42.96 165.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.587 ' O ' ' C ' ' A' ' 26' ' ' SER . 48.8 p -114.08 124.25 51.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' PHE . 83.2 p -22.86 -71.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' PHE . 98.8 m-20 -37.53 -71.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 1.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' HG2' ' OG1' ' A' ' 25' ' ' THR . 13.0 mm100 -46.49 -28.51 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.387 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 t -81.94 -32.75 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 106' ' ' TYR . 4.8 m-85 -91.08 35.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 31' ' ' THR . 51.9 m -71.19 14.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 1.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 79.38 -5.71 1.91 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 1.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.71 -40.71 4.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.1 m -129.87 175.76 8.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 3.8 m -119.38 168.65 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 108.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 18.4 t80 -139.99 95.29 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.0 t70 -121.93 88.72 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.689 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 31.4 t -84.76 -11.19 56.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 1.149 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 13.1 mt-30 -50.72 -13.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 HG13 ' A' ' 43' ' ' VAL . 87.1 t -111.21 94.15 20.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.03 132.19 15.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 1.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.09 -17.52 34.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG13 HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -116.42 178.1 1.06 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 1.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 119.62 5.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 1.0 111.032 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.689 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 23.6 m0 -73.27 -53.47 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 8.9 m -89.58 107.2 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CG ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -134.0 -166.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -111.5 143.04 27.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.45 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 157.73 42.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 1.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.759 ' CB ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -52.84 -73.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.759 ' HD3' ' CB ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.97 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 1.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.9 54.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -139.82 142.66 36.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.67 0.01 19.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m -43.66 -56.33 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 110.048 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.57 81.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 1.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 174.44 -33.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.85 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.6 m -84.1 -84.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.85 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.9 OUTLIER 26.59 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.78 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 4.3 ptp 179.08 138.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 1.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.6 mt-30 -83.82 165.99 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 62' ' ' VAL . 12.3 p -61.01 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t 160.39 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -81.69 -16.82 50.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 178.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.681 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -129.6 -34.48 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.681 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 26.5 t30 98.36 84.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.9 t -120.95 -168.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 108.253 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 46.57 -176.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 1.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.654 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 44.8 p90 -125.57 164.36 33.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 81.4 2.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 1.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.31 -25.75 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 1.0 111.027 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.654 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 4.6 tt -56.79 160.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 1.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.558 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -97.32 -178.97 0.8 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 1.0 109.971 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.493 1.786 . . . . 1.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -50.7 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 1.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -64.58 -53.72 43.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 41.8 t -50.55 -65.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 108.374 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.21 61.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.57 13.73 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.603 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 9.1 mmt180 -121.86 -45.91 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 1.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 10.7 m-20 146.62 113.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.721 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 111.17 143.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.705 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 47.7 m -66.15 164.49 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.3 t80 -142.79 99.72 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.556 ' OG ' HG22 ' A' ' 88' ' ' THR . 45.7 t -132.1 97.27 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.574 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 1.8 p-10 -82.28 -6.02 58.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 89' ' ' ILE . 5.1 t -31.48 -40.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.804 HD12 HG23 ' A' ' 88' ' ' THR . 1.0 OUTLIER -108.93 103.89 53.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.97 140.73 25.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 1.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.07 28.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.534 ' CG1' HG22 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -152.09 177.11 2.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 1.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 103.49 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 1.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.574 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 40.3 m0 -71.21 -39.4 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.6 m -91.66 93.51 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 108.246 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.744 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 20.2 p90 -113.01 -173.18 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 67.1 m-85 -103.76 162.39 20.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 1.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.01 17.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.823 . . . . 1.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.762 ' HG3' HG22 ' A' ' 101' ' ' VAL . 9.5 ptt? -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.42 ' OG ' ' C ' ' A' ' 99' ' ' MET . 0.0 OUTLIER 61.89 79.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 1.0 109.958 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.762 HG22 ' HG3' ' A' ' 99' ' ' MET . 0.5 OUTLIER -138.01 -93.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.64 ' H ' HG23 ' A' ' 101' ' ' VAL . 4.0 tt0 94.06 -20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 105' ' ' HIS . 99.4 m-20 -71.22 -9.32 57.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 11.6 m -41.63 -45.64 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 108.361 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.812 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.3 p80 36.99 -154.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.535 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.776 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 53.0 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.478 ' HE2' ' CG ' ' A' ' 30' ' ' PHE . 8.3 mttt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.0 -70.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 1.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.579 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -178.94 -174.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.854 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -112.6 -15.35 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.9 m -76.65 -6.64 52.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 108.27 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HE ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -121.38 30.43 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CA ' ' OE1' ' A' ' 11' ' ' GLN . 2.1 m -147.26 -46.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 108.289 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 20.9 p -88.7 69.32 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.668 ' O ' ' C ' ' A' ' 11' ' ' GLN . 2.0 mmm180 158.43 -23.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 1.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.668 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -10.97 -92.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.5 t70 -150.99 145.61 18.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.04 67.86 5.89 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.492 1.785 . . . . 1.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 89.84 101.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.5 m-20 -117.01 -33.17 4.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER 85.27 3.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.435 1.085 . . . . 1.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.96 142.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 0.5 OUTLIER -130.95 160.37 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.25 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -140.13 55.7 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 108.268 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.76 -122.23 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.871 ' CE1' HD12 ' A' ' 24' ' ' ILE . 4.5 p90 -161.37 161.42 23.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 1.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 1.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.6 -1.1 11.22 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.871 HD12 ' CE1' ' A' ' 21' ' ' PHE . 3.8 tt -50.25 165.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 22.0 p -108.06 -57.99 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 1.0 110.367 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.8 p 159.93 -67.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -43.62 -55.09 4.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.58 -28.56 55.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 6.4 t -84.16 -38.17 21.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 1.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 3.4 m-85 -89.31 38.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' THR . 86.0 m -81.54 23.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 110.367 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 79.22 2.55 2.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 1.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.38 -61.34 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 1.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 37.9 m -114.87 170.1 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 1.0 108.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.551 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -110.12 169.92 8.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 108.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 48.5 t80 -151.25 115.64 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -102.29 -60.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.689 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.19 75.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 1.0 110.03 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.492 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 5.1 mt-30 -134.14 -8.53 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.779 ' CG1' HG13 ' A' ' 43' ' ' VAL . 6.8 t -137.68 116.77 9.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 4.18 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 1.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.462 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -112.52 4.71 26.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.143 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.779 HG13 ' CG1' ' A' ' 40' ' ' VAL . 3.3 m -139.32 169.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.598 0.822 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.05 121.33 6.49 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.545 1.813 . . . . 1.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.689 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 21.2 m0 -74.13 -46.61 41.49 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.082 -1.081 . . . . 1.0 108.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.737 ' SG ' HG21 ' A' ' 24' ' ' ILE . 3.5 m -88.49 124.52 34.07 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -144.22 -169.97 3.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 110.997 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -104.92 132.63 20.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 1.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.545 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.99 -165.62 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 1.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.912 HD22 ' CG ' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -137.87 56.95 12.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 137.9 22.25 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 1.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.641 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -165.96 74.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.641 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 2.2 mm-40 151.41 167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.56 5.57 14.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.445 ' CB ' ' HG2' ' A' ' 57' ' ' GLU . 57.0 m -152.01 153.71 34.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 44.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 110.365 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 55' ' ' SER . 8.5 pt-20 -109.6 -30.23 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' SD ' ' A' ' 60' ' ' MET . 66.8 m -84.44 -74.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.749 ' O ' ' HB2' ' A' ' 60' ' ' MET . 1.5 t 44.05 -147.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.749 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER 78.18 142.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 111.068 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.912 ' CG ' HD22 ' A' ' 50' ' ' LEU . 11.2 mt-30 -86.45 169.75 12.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 1.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.599 ' CG1' HD13 ' A' ' 89' ' ' ILE . 19.7 m -51.18 -32.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 p -97.69 46.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 1.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.36 -45.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 1.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.613 HH12 HG21 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -51.57 128.73 23.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 1.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.491 ' CD ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 tmtp? -111.38 128.33 55.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 1.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LYS . 6.9 p30 -37.49 110.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.619 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 7.9 t -132.17 103.79 6.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 108.26 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.29 -150.08 17.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.427 1.08 . . . . 1.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -120.54 153.48 56.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 1.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 8.29 2.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 1.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.99 -16.59 10.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 1.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.529 ' CG2' ' SG ' ' A' ' 95' ' ' CYS . 4.4 tt -59.96 165.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 1.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -127.04 -176.42 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.05 169.14 23.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 1.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 tm-20 69.98 -51.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 1.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 81' ' ' ARG . 33.4 m-20 -73.87 -50.64 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 47.6 t -46.22 -39.32 9.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 108.33 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.78 -36.68 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.49 20.42 2.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mmp_? -131.2 -48.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.731 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.8 m-20 149.79 114.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.731 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 99.6 m 115.65 145.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 108.339 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 9.9 m -70.94 168.46 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 47.7 t80 -143.45 97.86 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 t -128.18 97.43 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.619 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 5.3 p-10 -90.02 -2.11 58.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.929 HG23 HD12 ' A' ' 89' ' ' ILE . 9.8 t -34.92 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.929 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -121.7 129.94 24.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.329 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.03 149.39 36.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.544 1.812 . . . . 1.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER 89.16 -68.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 1.0 110.287 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.613 HG21 HH12 ' A' ' 65' ' ' ARG . 12.2 m -39.48 161.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.446 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.01 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.438 1.757 . . . . 1.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.619 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -51.78 -43.54 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 1.0 107.969 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 96.1 m -95.5 108.7 20.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 84' ' ' CYS . 7.3 p90 -130.55 -172.41 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 80.5 m-85 -97.89 147.29 32.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.95 25.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.53 151.94 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.48 127.31 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 1.0 110.058 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -147.2 -97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 5.7 tt0 88.32 31.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 9.5 p-10 -163.88 31.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 3.3 m -65.42 -58.04 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.854 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 7.8 p-80 54.07 165.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 1.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.5 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 89.4 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.629 ' NZ ' ' CZ ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.689 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.98 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 1.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.77 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . 162.23 -43.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.335 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . . . 103.48 -9.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.02 ' SG ' HG12 ' A' ' 101' ' ' VAL . 96.1 m -79.48 -5.36 54.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 1.0 108.366 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.734 ' HG2' HG11 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -134.76 40.86 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 1.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.647 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.3 m -142.67 -41.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 1.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.545 ' C ' ' O ' ' A' ' 8' ' ' CYS . 24.3 p -26.88 87.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.647 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 41.32 31.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 18.63 -94.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 110.336 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.536 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 5.1 t70 -138.35 148.2 58.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 81.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.791 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 7.9 tttp 97.66 97.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 1.2 m120 -139.96 -22.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 5.0 ptp85 42.77 78.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG11 ' NZ ' ' A' ' 48' ' ' LYS . 2.0 t -151.31 38.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.493 ' C ' ' O ' ' A' ' 17' ' ' VAL . 12.4 t-20 -33.52 148.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -133.53 16.63 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 108.248 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . -154.19 -135.91 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 1.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.759 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -141.14 164.44 35.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 1.0 110.996 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.31 7.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 1.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.11 12.58 16.96 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.49 1.119 . . . . 1.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.016 HG21 ' SG ' ' A' ' 46' ' ' CYS . 2.6 tt -68.37 175.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.404 0.708 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.6 p -141.0 46.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 29' ' ' CYS . 80.5 p 60.64 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 m-20 -38.75 -67.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -48.27 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.305 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.7 t -90.0 -34.84 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 108.26 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 6.1 m-85 -91.94 8.44 37.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.0 m -115.51 -13.48 11.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.463 1.102 . . . . 1.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 p -99.78 9.14 43.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.0 110.027 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.43 -4.52 86.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 1.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 95.6 m -85.81 171.75 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 2.1 m -114.86 160.29 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 108.318 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 38' ' ' SER . 24.9 t80 -143.51 142.0 30.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 1.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -131.56 -57.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.603 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER 51.5 64.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 1.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.498 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.4 mt-30 -129.15 -6.25 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 1.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG12 HG22 ' A' ' 43' ' ' VAL . 24.2 t -126.91 123.86 23.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 118.45 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 1.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.76 -64.2 0.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 1.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.707 HG22 HG12 ' A' ' 40' ' ' VAL . 10.5 m -54.97 167.17 0.67 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 1.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.02 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 110.997 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.603 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 37.6 m0 -66.71 -45.44 78.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 1.016 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.3 135.8 33.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -151.33 -167.82 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 111.02 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.548 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -114.12 155.17 45.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.526 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 170.16 21.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 1.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.045 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -118.99 72.48 11.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.223 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -75.06 149.73 36.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 1.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.71 148.48 26.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 56.58 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.96 -7.12 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 1.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 2.2 t -65.54 -53.03 47.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.631 1.207 . . . . 1.0 110.022 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 55' ' ' SER . 14.9 tt0 88.46 -27.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.82 11.45 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 55' ' ' SER . 77.6 m -86.97 9.81 18.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 1.0 108.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 1.045 HG13 ' O ' ' A' ' 50' ' ' LEU . 2.1 t -72.36 145.8 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.856 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 10.8 ptp 175.74 138.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 9.8 mt-30 -84.78 166.19 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.347 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.848 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -57.64 83.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 156.99 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.856 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -81.71 -18.59 43.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.596 ' HD3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.07 -171.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -151.37 -110.44 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -176.79 74.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 109.369 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 35.1 t -111.62 64.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 108.275 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.81 -176.24 35.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.413 1.071 . . . . 1.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.772 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -123.03 162.23 40.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 1.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 1.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.26 -14.89 23.08 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.381 1.051 . . . . 1.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.772 HG22 ' O ' ' A' ' 70' ' ' TYR . 14.2 tt -69.85 165.01 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -106.97 178.41 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.622 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -75.0 -61.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.433 1.754 . . . . 1.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 28.5 mt-10 -70.99 -11.2 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -87.42 -52.73 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 1.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 73' ' ' ILE . 15.9 t -51.63 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 1.0 108.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.81 -43.98 66.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.12 12.53 5.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 1.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.5 mmt180 -120.11 -46.16 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.734 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 3.1 m-20 142.44 116.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 1.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.734 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 74.9 m 115.88 149.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 1.0 108.263 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.709 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 71.2 m -71.92 154.83 40.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 19.8 t80 -140.19 100.11 3.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.565 1.166 . . . . 1.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.1 t -131.02 92.43 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 110.014 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.605 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.4 OUTLIER -79.44 -1.61 38.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 1.0 109.382 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.931 HG23 HD13 ' A' ' 89' ' ' ILE . 11.9 t -34.17 -34.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.931 HD13 HG23 ' A' ' 88' ' ' THR . 1.2 mp -120.01 109.49 37.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 1.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.639 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.9 140.49 25.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 1.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.639 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.3 mm-40 97.97 21.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.734 HG11 ' CG2' ' A' ' 62' ' ' VAL . 2.5 m -142.29 165.53 26.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.99 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.57 1.826 . . . . 1.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.605 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 20.6 m0 -53.42 -39.04 64.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 108.024 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.696 ' SG ' HG21 ' A' ' 73' ' ' ILE . 92.7 m -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.824 ' CE2' ' HE1' ' A' ' 60' ' ' MET . 14.4 p90 -112.05 -169.95 1.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 1.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 57.5 m-85 -100.05 140.34 21.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 99' ' ' MET . 18.2 Cg_endo -74.99 176.91 9.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.431 1.753 . . . . 1.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 73.21 -165.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 99' ' ' MET . 0.9 OUTLIER 78.6 113.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 1.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.02 HG12 ' SG ' ' A' ' 6' ' ' CYS . 1.9 m -135.0 -103.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER 39.83 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 1.0 110.233 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.79 ' N ' ' O ' ' A' ' 101' ' ' VAL . 14.6 t0 -37.8 -28.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' A' ' 101' ' ' VAL . 4.5 m -60.82 140.64 57.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.587 1.179 . . . . 1.0 108.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -173.17 -179.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 1.335 ' CZ ' ' HB2' ' A' ' 5' ' ' ALA . 47.9 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 1.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 5.6 mttt 162.73 102.68 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 -84.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.861 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . . . -159.41 -171.61 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.659 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -98.52 -32.47 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m -72.06 -20.01 61.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.861 ' HG3' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -81.05 -11.04 59.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.06 -70.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 108.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 p -50.85 -55.44 16.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 110.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.02 50.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 1.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 48' ' ' LYS . 1.6 tp60 -79.58 -101.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 2.2 t70 -151.29 146.6 19.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 1.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.06 78.36 2.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 1.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 91.03 108.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 m-20 -116.65 -7.09 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 45.15 23.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 15' ' ' ASN . 60.4 t -132.97 149.91 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 3.2 p30 -130.03 163.08 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -138.64 24.94 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 108.277 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.94 -139.23 3.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 1.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' A' ' 24' ' ' ILE . 53.5 p90 -144.4 161.27 45.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 1.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 112.17 3.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.533 1.807 . . . . 1.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.68 3.65 16.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 1.0 111.081 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.909 HG21 ' SG ' ' A' ' 46' ' ' CYS . 3.5 tt -58.34 175.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' SER . 23.4 p -119.0 -55.35 2.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 4.6 p 159.93 -74.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.4 t70 -41.44 -56.14 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -55.64 -26.71 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.1 t -84.43 -31.89 24.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 108.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 22.6 m-85 -85.36 -8.82 58.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ASP . 19.8 m -99.52 -10.61 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -95.85 12.97 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.59 7.92 85.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 59.1 m -108.85 161.15 15.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.517 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -101.4 167.78 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 41.7 t80 -150.07 126.89 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.737 ' O ' ' HB3' ' A' ' 38' ' ' SER . 0.2 OUTLIER -121.96 -70.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 1.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.862 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 30.0 t 84.53 -31.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 110.059 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.636 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -30.42 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 110.301 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.556 HG12 HG13 ' A' ' 43' ' ' VAL . 39.0 t -93.43 108.32 32.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.06 136.25 20.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 1.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.08 -52.71 0.98 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 1.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -70.05 -179.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 1.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 117.24 4.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.432 1.754 . . . . 1.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.862 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 34.3 m0 -74.03 -49.13 25.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.909 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -89.46 118.82 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 108.258 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -140.24 -165.61 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 1.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.552 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -97.43 164.38 17.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.289 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -170.18 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.55 1.816 . . . . 1.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.71 HD21 ' CG ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -138.19 59.38 18.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.03 157.33 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.607 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -172.77 39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER 168.07 155.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.227 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.89 2.19 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 1.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -131.67 128.53 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 1.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.35 55.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' SD ' ' A' ' 99' ' ' MET . 10.1 pt-20 -125.51 -31.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 84' ' ' CYS . 81.6 m -84.46 -78.91 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 108.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.72 ' O ' ' HB3' ' A' ' 60' ' ' MET . 1.8 t 49.45 116.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.821 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 14.4 ptp 163.08 145.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.71 ' CG ' HD21 ' A' ' 50' ' ' LEU . 2.8 mt-30 -87.73 171.1 10.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.884 HG12 HH12 ' A' ' 65' ' ' ARG . 2.4 m -63.33 79.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 161.51 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.956 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -86.91 -7.94 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.884 HH12 HG12 ' A' ' 62' ' ' VAL . 18.3 mtt180 -80.32 8.63 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.685 ' CE ' ' CE2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 35.95 -98.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.584 ' C ' ' HE2' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 160.72 82.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' CYS . 41.8 t -77.57 -84.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.97 -155.23 0.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.738 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -122.47 158.46 56.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.764 . . . . 1.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 7.76 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 1.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 -13.43 13.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 1.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.642 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 3.3 tt -75.35 164.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -115.99 -176.55 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.963 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.664 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.93 174.38 12.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 1.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.38 -58.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.859 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 7.9 m-20 -63.74 -35.18 79.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.494 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 40.9 t -62.42 -70.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.102 . . . . 1.0 108.356 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.22 -12.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 77' ' ' ASP . . . -54.88 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.521 ' HD2' ' HB1' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.86 48.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 73' ' ' ILE . 10.6 m120 -134.33 -108.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 4.6 m -154.95 -168.24 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 108.252 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 4.0 m -47.06 157.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 75' ' ' PRO . 73.2 t80 -143.42 82.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.478 ' OG ' HG22 ' A' ' 88' ' ' THR . 40.7 t -112.01 93.16 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.628 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -83.43 -6.63 59.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.955 HG23 HD12 ' A' ' 89' ' ' ILE . 9.0 t -34.38 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.955 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -117.93 106.97 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.01 144.5 30.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.452 1.764 . . . . 1.0 111.017 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.615 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 92.78 25.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.325 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.52 HG21 ' NH1' ' A' ' 65' ' ' ARG . 1.1 m -147.8 169.03 9.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 65' ' ' ARG . 17.9 Cg_endo -75.08 100.58 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 1.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.628 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 37.6 m0 -68.89 -46.18 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.814 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 75.2 m -83.48 92.01 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.348 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.792 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 30.8 p90 -122.15 159.53 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.157 . . . . 1.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' ' CE ' ' A' ' 66' ' ' LYS . 22.5 m-85 -65.46 151.09 95.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.43 36.59 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.537 1.809 . . . . 1.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.49 ' HG2' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -40.98 -36.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 1.0 111.032 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.49 ' N ' ' HG2' ' A' ' 99' ' ' MET . 33.8 m 35.74 69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.607 1.192 . . . . 1.0 109.963 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -151.11 -98.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.7 mt-10 90.03 0.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -92.8 25.17 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 1.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.09 177.02 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.659 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 8.9 p80 -163.08 -167.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 1.0 109.528 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.889 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 12.3 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.312 -0.255 . . . . 1.0 110.312 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.539 ' HZ1' ' HE2' ' A' ' 106' ' ' TYR . 0.0 OUTLIER 64.61 100.5 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 1.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 -92.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.389 1.731 . . . . 1.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 1.011 ' HA ' ' OH ' ' A' ' 106' ' ' TYR . . . -174.75 143.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 1.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -61.01 -27.83 68.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 1.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.0 m -64.99 -13.13 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 108.204 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.821 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.32 14.29 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 110.259 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.666 ' O ' ' N ' ' A' ' 10' ' ' ARG . 5.2 m -134.15 -38.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 108.241 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.555 ' OG ' ' NE2' ' A' ' 61' ' ' GLN . 7.5 p -30.67 86.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 1.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 44.61 23.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 21.89 -91.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.593 1.183 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -119.13 152.89 52.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.4 Cg_endo -74.99 78.31 2.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 1.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 79.57 100.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CG ' ' CG ' ' A' ' 12' ' ' ASP . 3.7 m-20 -130.54 -3.34 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.379 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 64.25 8.61 4.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 1.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.1 t -63.89 167.71 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.565 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 2.9 p30 -172.75 130.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -140.17 28.17 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.23 -154.61 8.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.11 . . . . 1.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.935 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -126.74 163.31 41.86 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 1.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.61 10.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.377 1.725 . . . . 1.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.68 15.84 21.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.065 HG21 ' SG ' ' A' ' 46' ' ' CYS . 1.4 tt -71.71 -178.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 1.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CB ' ' A' ' 26' ' ' SER . 19.3 p -127.1 -48.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 1.0 110.433 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.1 p 151.07 -76.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.5 p-10 -41.08 -53.97 2.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -55.49 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.7 t -82.21 -39.24 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 1.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 106' ' ' TYR . 13.3 m-85 -76.19 -13.52 60.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 1.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.8 m -101.47 -11.02 19.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 1.0 110.362 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -94.74 20.39 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.92 44.55 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.8 m -110.25 165.21 11.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.574 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 24.9 m -104.94 162.88 12.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 1.0 108.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 36.7 t80 -150.63 113.21 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -102.45 -78.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 1.0 109.269 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.785 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER 88.15 -26.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 1.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.552 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 13.3 mt-30 -42.21 -21.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.572 HG12 HG13 ' A' ' 43' ' ' VAL . 97.9 t -106.06 101.9 36.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -75.04 129.1 12.0 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.16 -41.19 2.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.611 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -87.63 -175.43 0.58 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 1.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.611 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.1 123.7 8.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 1.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.785 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 33.3 m0 -82.17 -49.94 9.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 1.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 1.065 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.3 m -89.34 129.57 35.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 1.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.34 -167.89 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 110.965 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.544 ' HD2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -94.01 165.33 18.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.226 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.503 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.02 153.99 42.09 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.525 1.803 . . . . 1.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -120.62 71.57 19.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 1.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -148.38 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 52' ' ' ALA . 3.1 mt-30 -35.34 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -54.17 -13.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 53' ' ' GLN . 68.2 m -93.65 90.12 6.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.047 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 tt0 -48.12 96.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 1.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.6 pt-20 165.33 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.5 m -80.13 -4.17 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 108.21 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.3 t -62.34 107.39 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.93 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 34.3 mtm -154.72 146.28 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.555 ' NE2' ' OG ' ' A' ' 9' ' ' SER . 2.5 mt-30 -84.5 166.31 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 62' ' ' VAL . 13.5 p -60.84 83.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.3 m 158.99 -25.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.93 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -81.41 -19.21 43.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' CG ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -52.04 175.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 110.269 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 4.1 mmtm -131.92 4.88 4.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 41.4 t30 61.95 87.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.256 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.671 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 3.0 t -128.53 -173.46 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 1.0 108.319 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.27 -173.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -129.35 167.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 1.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 66.8 6.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 1.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -178.62 -36.52 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 1.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.518 HG21 ' SG ' ' A' ' 95' ' ' CYS . 14.2 tt -48.54 159.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -105.75 -178.25 0.59 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.611 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.08 -66.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 1.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -63.36 -12.59 31.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' ARG . 61.0 m-20 -91.21 -45.7 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 48.0 t -52.35 -62.27 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 1.0 108.346 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.81 82.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -69.21 -7.53 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -104.57 -57.65 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.738 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 6.7 m-20 151.23 107.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.738 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 66.0 m 120.55 149.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 1.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.773 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 77.1 m -74.31 165.11 25.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.7 t80 -142.46 105.03 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 t -135.62 100.9 4.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.578 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -83.46 -0.73 51.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.817 HG23 HD12 ' A' ' 89' ' ' ILE . 9.5 t -32.22 -37.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.817 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -114.79 107.67 50.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.03 140.01 24.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 1.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.2 mt-10 90.86 31.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 1.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -153.76 177.73 1.87 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.07 97.49 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 1.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.2 m0 -64.75 -38.22 90.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.773 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.1 m -95.12 107.38 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 1.0 108.292 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 3.5 p90 -120.95 -171.21 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.671 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 47.8 m-85 -108.38 130.46 22.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.177 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.3 Cg_endo -75.02 109.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 1.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.632 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER 162.37 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 1.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 99' ' ' MET . 5.2 p 98.51 171.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.547 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -33.35 -95.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 101' ' ' VAL . 18.5 mt-10 88.92 29.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.3 t0 -87.92 22.62 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -41.22 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.861 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -150.9 178.01 9.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 1.0 109.573 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 1.011 ' OH ' ' HA ' ' A' ' 4' ' ' ALA . 39.2 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 2' ' ' LYS . 15.3 pm0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.346 -0.242 . . . . 1.0 110.346 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 106' ' ' TYR . 1.9 mttt 73.67 124.0 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 17.9 Cg_endo -75.13 28.29 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.787 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 81.72 154.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.005 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -106.65 -15.9 14.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.514 ' SG ' HG21 ' A' ' 101' ' ' VAL . 36.2 m -66.5 -16.26 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.787 ' NE ' ' HB3' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -111.55 29.95 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.2 m -148.25 -58.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 108.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 96.9 p -46.73 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -76.32 52.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HG3' HD23 ' A' ' 50' ' ' LEU . 58.8 tt0 -75.77 -86.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.135 . . . . 1.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' A' ' 14' ' ' LYS . 6.7 t70 -150.43 146.19 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.98 32.54 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.4 mttt 163.8 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 1.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 1.3 m-80 -100.24 -11.96 19.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 17' ' ' VAL . 11.0 mtm105 43.63 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 16' ' ' ARG . 10.6 t -28.79 134.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 35.1 m-80 -103.52 158.76 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HB2' ' C ' ' A' ' 47' ' ' PHE . 3.9 t -131.61 56.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.3 -142.02 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 1.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.615 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.46 164.09 42.56 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 1.0 111.048 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.82 8.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 1.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.23 16.55 17.52 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.976 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.9 tt -75.18 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' SER . 7.8 p -131.53 -58.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 110.453 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER 177.08 -71.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.26 -60.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -56.47 -25.15 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' HD13 ' A' ' 24' ' ' ILE . 2.6 t -94.0 1.24 56.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 1.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.859 ' CE1' ' HD1' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -137.97 32.63 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 32' ' ' SER . 49.5 m -137.26 -108.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 1.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER -93.74 29.94 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -117.62 -93.65 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.556 1.16 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 29' ' ' CYS . 35.7 m -156.01 -156.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 10.4 m -89.61 165.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.612 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 25.8 t80 -150.69 80.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.9 t70 -98.04 96.89 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.61 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -93.28 38.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 1.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.81 -15.15 59.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.761 ' CG1' HG13 ' A' ' 43' ' ' VAL . 22.9 t -133.38 110.25 12.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.172 . . . . 1.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 5.01 4.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 1.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.62 4.11 27.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.484 1.115 . . . . 1.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.761 HG13 ' CG1' ' A' ' 40' ' ' VAL . 4.4 m -137.24 171.38 8.64 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.573 0.808 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.98 122.19 7.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.408 1.741 . . . . 1.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 2.1 m0 -82.06 -41.44 20.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 107.975 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.976 ' SG ' HG21 ' A' ' 24' ' ' ILE . 22.8 m -85.75 108.56 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 1.0 108.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -149.47 -171.66 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 111.067 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.528 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -89.51 153.56 48.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 1.0 109.419 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.541 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.615 1.85 . . . . 1.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 50' ' ' LEU . 1.7 pp -132.04 55.43 18.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 1.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 -176.98 3.16 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.532 1.806 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.646 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -175.8 87.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.646 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 150.75 172.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.63 8.61 5.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 1.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -144.84 166.38 25.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 1.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 58.6 mt-10 -111.8 104.2 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.254 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 175.74 -24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 110.29 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.523 ' O ' ' CE2' ' A' ' 96' ' ' PHE . 91.2 m -82.26 4.15 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 1.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 7' ' ' ARG . 1.6 t -71.76 125.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.724 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 2.5 mtm -163.77 151.08 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -71.38 167.42 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.551 ' CG1' HG21 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -62.58 -19.9 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -93.45 -15.03 26.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.724 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -75.6 -52.77 9.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.511 ' CD ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -40.37 165.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 110.314 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -150.85 43.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.561 ' O ' ' O ' ' A' ' 66' ' ' LYS . 5.0 p30 40.68 100.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 5.7 t -127.31 60.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.5 -164.89 33.73 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -119.16 159.05 46.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 1.0 110.984 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 60.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.792 . . . . 1.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -169.83 -36.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.561 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.0 tt -40.01 160.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 1.0 109.276 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.519 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -107.7 179.16 0.92 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 1.0 109.96 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.98 -55.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 16.5 mt-10 -70.22 -17.85 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' ARG . 16.3 m-20 -87.59 -45.33 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 74' ' ' SER . 42.8 t -51.36 -62.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.405 1.065 . . . . 1.0 108.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.33 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -80.14 8.56 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 14.4 mmt180 -118.24 -51.55 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.746 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 15.3 m-20 143.0 110.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.39 1.056 . . . . 1.0 109.381 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.746 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 94.9 m 123.11 148.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 1.0 108.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.734 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 87.7 m -70.99 163.98 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 108.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.648 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 21.3 t80 -140.28 103.28 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 42.4 t -134.12 95.29 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.591 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -79.45 -4.06 49.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.765 HG23 HD12 ' A' ' 89' ' ' ILE . 7.0 t -30.67 -38.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.765 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -113.04 106.93 54.7 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.07 139.83 24.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 1.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.6 OUTLIER 90.86 32.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 1.0 110.337 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 89' ' ' ILE . 1.3 m -153.31 175.43 3.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 96.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.9 m0 -62.77 -34.82 78.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.734 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 90.0 m -95.5 101.43 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 1.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.635 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 5.0 p90 -115.76 -170.75 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 1.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.634 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 64.5 m-85 -104.24 130.95 22.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.2 Cg_endo -75.01 156.91 42.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 1.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 158.03 -169.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.52 174.28 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 1.0 109.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.7 OUTLIER -130.64 -98.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 101' ' ' VAL . 12.8 tt0 91.0 20.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -117.42 -13.73 10.36 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.2 m -87.72 135.93 33.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 1.0 108.246 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 1.005 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 7.1 p-80 -91.83 176.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.569 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.859 ' HD1' ' CE1' ' A' ' 30' ' ' PHE . 46.9 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.356 -0.238 . . . . 1.0 110.356 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 4' ' ' ALA . 3.1 mttt 62.58 133.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.586 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 18.5 Cg_endo -74.93 23.08 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 1.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.78 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 76.37 139.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.859 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . . . -89.47 -5.83 56.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 83.2 m -76.09 2.14 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 1.0 108.299 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.783 ' HB3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -129.76 24.85 5.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.212 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -136.39 -46.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 1.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 p -95.28 -1.4 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 1.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -113.41 -16.14 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.305 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.812 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 3.9 pt20 -61.53 -158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 2.4 t70 -85.02 145.51 43.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 1.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.99 81.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 93.07 104.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 1.0 109.378 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.924 ' O ' HG23 ' A' ' 17' ' ' VAL . 4.1 m-20 -112.24 -0.23 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.257 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 ttp-105 52.86 28.75 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 1.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 15' ' ' ASN . 38.5 t -124.0 155.09 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 20.7 t-20 -132.74 156.04 47.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 18' ' ' ASN . 8.3 t -140.08 67.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 1.0 108.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.16 -152.37 22.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.681 ' O ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -125.98 168.18 14.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 1.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -0.82 10.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.8 14.63 11.44 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.529 1.143 . . . . 1.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 21' ' ' PHE . 17.6 tt -72.19 164.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 1.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' ' C ' ' A' ' 26' ' ' SER . 81.9 p -128.68 127.65 42.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 1.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.637 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p -16.14 -70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.044 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -38.85 -67.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 25' ' ' THR . 21.9 mm-40 -53.66 -28.96 36.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 1.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 34' ' ' CYS . 6.9 t -90.69 3.49 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.347 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -138.94 31.67 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 32' ' ' SER . 87.2 m -133.33 -109.78 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 31' ' ' THR . 18.9 m -96.33 31.81 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 1.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.13 -90.33 1.39 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.455 1.097 . . . . 1.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 29' ' ' CYS . 8.4 m -155.47 -155.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 5.9 m -95.23 162.47 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 108.359 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.648 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 17.6 t80 -144.1 79.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 22.9 t70 -99.15 93.01 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -82.7 -8.51 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.4 mt-30 -54.66 -14.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 ' OD2' ' A' ' 37' ' ' ASP . 54.7 t -111.56 93.42 19.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.4 Cg_endo -74.97 138.27 22.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 1.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.43 -29.82 11.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.483 HG13 HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -102.45 175.69 2.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 0.723 . . . . 1.0 109.261 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.0 122.32 7.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.568 1.825 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 13.6 m0 -77.16 -44.47 30.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 24' ' ' ILE . 62.8 m -88.74 103.91 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 1.0 108.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.812 ' CZ ' ' NE2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -135.22 -175.7 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -94.78 129.96 34.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.499 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -74.94 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 1.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.935 ' O ' HG13 ' A' ' 59' ' ' VAL . 1.1 pp -136.8 60.23 28.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.09 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 1.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 58' ' ' CYS . . . -142.76 -153.27 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.486 ' O ' ' O ' ' A' ' 52' ' ' ALA . 77.1 mm-40 -50.91 -169.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.254 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -48.34 -17.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.572 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -54.13 -162.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 110.076 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 59' ' ' VAL . 17.0 tt0 -153.12 -43.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.38 20.69 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.0 110.281 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 55.7 m -87.56 -4.96 58.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 1.0 108.263 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 50' ' ' LEU . 1.3 t -63.59 124.08 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.642 ' HE3' ' CD2' ' A' ' 96' ' ' PHE . 3.6 mtm -164.74 128.92 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' SER . 7.3 mt-30 -68.55 162.83 24.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 62' ' ' VAL . 11.6 p -62.4 82.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 1.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 p 158.16 -24.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -83.08 -18.74 38.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -50.4 179.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tttm -131.21 -21.62 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 86.42 84.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 1.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.8 t -122.81 -168.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 108.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.68 -173.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 1.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -132.33 168.61 16.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 1.0 111.038 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 60.37 5.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 1.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.1 -39.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.451 1.095 . . . . 1.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.589 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.3 tt -47.03 162.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 1.0 109.399 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -107.11 -178.75 0.62 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 1.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.646 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -75.03 -71.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.426 1.751 . . . . 1.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 35.2 mt-10 -59.83 -12.81 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.1 m-20 -90.04 -53.11 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.533 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 53.4 t -47.0 -57.26 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 1.0 108.26 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -87.38 19.57 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 77' ' ' ASP . 13.4 mmm180 -130.65 -47.03 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.679 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER 150.84 117.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 1.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.679 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 61.3 m 104.95 152.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 1.0 108.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.732 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.3 m -76.84 166.61 23.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 108.356 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 18.7 t80 -142.28 106.14 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.504 1.128 . . . . 1.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 t -137.31 88.84 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.0 110.049 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.597 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -73.57 -2.87 24.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.787 HG23 HD12 ' A' ' 89' ' ' ILE . 6.8 t -32.39 -37.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.787 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -114.37 108.92 49.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 1.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 144.31 29.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 1.0 110.979 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER 86.22 33.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 89' ' ' ILE . 1.3 m -153.45 172.98 5.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.597 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 32.7 m0 -56.69 -35.09 68.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 1.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.732 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 63.4 m -93.41 98.86 11.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 11.4 p90 -116.32 -169.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 31.9 m-85 -107.73 145.9 32.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.79 39.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 1.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.405 ' SD ' ' SD ' ' A' ' 60' ' ' MET . 20.6 ptm -145.84 163.19 35.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 1.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.8 79.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.577 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -52.79 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.577 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 90.9 56.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 110.257 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -177.02 37.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 1.5 m -96.73 -69.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.685 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 2.7 p80 51.04 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 1.0 109.542 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.859 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 53.5 m-85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 1.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.324 -0.25 . . . . 1.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.624 ' HB3' ' OH ' ' A' ' 106' ' ' TYR . 2.8 mttt 62.62 143.11 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 1.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.641 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.96 -55.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 1.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.957 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . . . 167.4 112.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.228 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 104' ' ' CYS . . . -56.27 -12.95 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 104' ' ' CYS . 1.7 m -61.37 -54.6 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 108.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.957 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -84.93 42.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 1.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 2.8 m -146.28 -46.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.476 ' OG ' ' C ' ' A' ' 104' ' ' CYS . 28.7 p -105.9 65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' GLN . 2.6 tpp180 177.54 -31.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.354 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.672 ' O ' ' O ' ' A' ' 10' ' ' ARG . 13.8 tt0 -29.92 -105.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 4.3 t70 -153.81 145.91 17.09 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.76 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.01 49.58 2.3 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.481 1.779 . . . . 1.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.76 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 14.8 ttpp 132.21 99.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 1.0 109.339 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.648 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 1.3 m120 -137.3 1.39 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 48.82 61.89 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 1.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.842 HG12 ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -128.82 42.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 109.232 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 44' ' ' PRO . 64.6 t30 -56.7 144.35 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 40.7 t -141.23 15.47 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 108.232 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . -152.77 -150.31 5.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.115 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -129.2 162.44 52.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 1.0 110.908 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.17 9.22 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 1.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.56 10.51 28.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.404 1.065 . . . . 1.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.047 HG21 ' SG ' ' A' ' 46' ' ' CYS . 1.9 tt -67.96 -176.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 1.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 33.5 p -137.16 28.57 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 110.474 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.611 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . 24.4 p 65.82 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.492 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -41.85 -66.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -49.7 -22.26 1.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -86.88 -34.71 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 4.7 m-85 -82.25 33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 32' ' ' SER . 86.6 m -75.64 18.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 1.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 80.16 0.27 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.86 -53.5 1.03 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 1.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' CYS . 47.5 m -121.25 168.63 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.3 m -116.45 164.93 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 26' ' ' SER . 17.9 t80 -150.62 120.84 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 1.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.637 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -122.08 -75.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.657 ' HG ' ' HE3' ' A' ' 45' ' ' TRP . 4.0 m 97.73 52.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -85.79 -16.39 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.528 ' CG1' HG13 ' A' ' 43' ' ' VAL . 29.1 t -125.39 116.34 25.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.12 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 1.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.59 -53.59 0.6 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 1.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.726 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.1 m -67.4 176.79 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.726 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.99 117.6 4.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.441 1.758 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.657 ' HE3' ' HG ' ' A' ' 38' ' ' SER . 36.9 m0 -78.38 -31.25 48.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 108.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 1.047 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.4 m -87.46 108.77 19.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 108.383 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -131.44 -162.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.842 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -91.42 150.56 41.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.702 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 57.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 1.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.702 ' C ' ' O ' ' A' ' 49' ' ' PRO . 6.9 tt -7.61 77.04 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.688 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 1.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 51' ' ' PRO . . . 173.74 124.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 85' ' ' PHE . 7.6 mm100 65.35 160.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.86 -3.26 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -94.45 173.25 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 1.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE2' ' NH1' ' A' ' 7' ' ' ARG . 3.0 mt-10 -121.28 4.49 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.12 -17.99 11.78 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.457 1.098 . . . . 1.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 37.8 m -83.94 5.75 24.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 1.0 108.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG11 ' HD2' ' A' ' 7' ' ' ARG . 1.4 t -75.19 121.44 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.984 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 3.1 ptp 177.75 156.74 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 1.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' SER . 8.2 mp0 -83.73 165.46 18.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.435 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 40.7 t -49.77 -22.79 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' GLN . 32.6 t -98.12 51.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.984 ' HB3' ' HG3' ' A' ' 60' ' ' MET . . . -148.91 -51.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.544 ' HG3' ' CG ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -38.82 159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 1.0 110.347 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -122.53 39.39 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 1.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 5.2 p-10 36.14 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 2.7 t -118.78 -179.92 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.175 . . . . 1.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.13 -166.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.423 1.077 . . . . 1.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.684 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -129.75 166.7 24.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 1.0 111.066 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.7 7.42 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.458 1.767 . . . . 1.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.7 -9.82 34.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 1.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 70' ' ' TYR . 8.1 tt -80.03 162.35 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.744 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.72 -179.96 0.86 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 1.0 109.972 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.679 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.97 -74.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 1.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 11.8 mt-10 -56.53 -14.56 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 81' ' ' ARG . 4.1 m-20 -89.12 -51.17 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.501 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 50.4 t -46.5 -57.5 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 1.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.38 97.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -87.4 20.11 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.248 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 77' ' ' ASP . 40.3 mmt-85 -131.79 -48.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.692 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER 150.4 114.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.692 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.0 m 108.13 148.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 1.0 108.367 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.709 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 88.0 m -72.86 170.48 14.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 1.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.679 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.8 t80 -143.57 106.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.5 t -134.07 86.36 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.64 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -75.4 0.28 17.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.897 HG23 HD12 ' A' ' 89' ' ' ILE . 7.6 t -30.22 -38.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 1.0 110.37 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.897 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -121.16 133.67 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.95 149.06 36.38 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.469 1.773 . . . . 1.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.6 mt-10 87.61 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 89' ' ' ILE . 14.7 m -38.93 162.68 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.493 ' CB ' ' HA ' ' A' ' 67' ' ' ASN . 18.4 Cg_endo -74.95 90.38 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.558 1.82 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.64 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -48.81 -42.12 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 1.0 108.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.709 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.8 m -94.2 113.65 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.704 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 4.1 p90 -127.87 -170.65 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.633 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 93.4 m-85 -105.18 129.76 24.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.421 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.02 107.57 2.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.47 1.774 . . . . 1.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 ptm 169.98 -172.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.698 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 78.12 114.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.789 HG12 ' SG ' ' A' ' 104' ' ' CYS . 0.7 OUTLIER -161.17 -104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.26 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' H ' HG23 ' A' ' 101' ' ' VAL . 7.5 tt0 38.77 29.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.247 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' ' CZ ' ' A' ' 10' ' ' ARG . 1.6 p-10 -169.53 31.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 1.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.796 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 89.1 m -98.46 -25.34 14.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 104' ' ' CYS . 0.6 OUTLIER -30.97 148.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 1.0 109.618 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.794 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 56.1 m-85 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 1.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 30' ' ' PHE . 2.1 pt-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.259 -0.274 . . . . 1.0 110.259 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ALA . 10.3 mttt -141.86 156.45 65.61 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.547 1.155 . . . . 1.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.632 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.07 30.56 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.664 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 78.77 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 1.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . . . -97.79 -5.96 33.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' HG11 ' A' ' 101' ' ' VAL . 74.4 m -77.83 -4.11 44.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 108.322 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.664 ' NE ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -121.29 30.96 6.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 110.326 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 1.5 m -138.68 -51.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.419 ' HB3' ' CD2' ' A' ' 105' ' ' HIS . 77.1 p -90.57 -2.31 57.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 110.003 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -109.87 -3.36 16.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 110.255 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.772 ' NE2' ' CD1' ' A' ' 47' ' ' PHE . 6.4 mt-30 -60.74 -134.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 2.7 t70 -126.63 146.69 57.82 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 1.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.631 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.03 81.6 2.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.599 1.842 . . . . 1.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.631 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 98.59 100.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 1.5 m-20 -137.64 -45.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER 88.57 -157.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 18' ' ' ASN . 8.8 t 74.11 42.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 17' ' ' VAL . 4.4 t-20 -31.02 143.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 3.3 t -128.33 44.1 3.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 1.0 108.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.27 -124.41 0.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 1.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HG13 ' A' ' 24' ' ' ILE . 53.0 p90 -174.73 162.99 2.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 1.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 108.59 2.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.58 -1.06 11.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 1.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.972 HG21 ' SG ' ' A' ' 46' ' ' CYS . 6.3 tt -53.76 165.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.771 ' O ' ' N ' ' A' ' 27' ' ' ASP . 8.7 p -135.99 68.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.778 ' O ' ' N ' ' A' ' 29' ' ' CYS . 91.4 p 41.23 -78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.034 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 25' ' ' THR . 11.2 t0 -29.69 -70.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.37 -26.35 12.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 1.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.778 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.7 t -96.25 4.94 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -138.6 30.34 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.596 HG22 ' N ' ' A' ' 32' ' ' SER . 18.8 m -129.62 -108.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.596 ' N ' HG22 ' A' ' 31' ' ' THR . 1.1 p -94.76 31.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.03 -96.5 1.71 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.464 1.103 . . . . 1.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.596 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.3 m -151.83 -156.47 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 49' ' ' PRO . 1.6 m -90.83 166.81 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.398 1.061 . . . . 1.0 108.231 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 29.9 t80 -149.37 80.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 23.5 t70 -99.6 98.17 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.702 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 29.8 t -89.97 -8.26 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 1.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -49.53 -17.07 0.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.473 HG12 HG13 ' A' ' 43' ' ' VAL . 85.0 t -110.09 99.76 40.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 139.36 24.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 1.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.45 -34.25 5.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 1.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 HG12 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -95.98 171.49 6.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 1.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 Cg_endo -74.97 120.19 5.97 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.527 1.804 . . . . 1.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.702 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 12.8 m0 -73.97 -44.17 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.972 ' SG ' HG21 ' A' ' 24' ' ' ILE . 49.7 m -86.94 112.53 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.772 ' CD1' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -146.97 -177.44 5.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 1.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.547 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -85.75 133.98 40.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 34' ' ' CYS . 18.5 Cg_endo -74.96 -175.58 2.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 1.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 6.8 mt -135.16 60.85 42.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 -170.37 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.483 1.78 . . . . 1.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.796 ' HB3' ' HB2' ' A' ' 58' ' ' CYS . . . -171.83 -160.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 109.353 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 55' ' ' SER . 25.7 mm100 -28.99 147.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.39 61.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.628 ' N ' ' O ' ' A' ' 53' ' ' GLN . 66.8 m -163.29 107.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 1.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE2' HG21 ' A' ' 101' ' ' VAL . 1.4 tm-20 -58.46 96.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 1.5 pt-20 172.33 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 1.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.796 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 62.6 m -80.59 -37.41 31.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 108.26 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 58' ' ' CYS . 1.1 t -23.95 123.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.606 ' HE1' ' CD2' ' A' ' 96' ' ' PHE . 5.7 ptp 179.65 167.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 4.9 mt-30 -85.57 166.23 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.836 HG11 HG21 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -65.15 -9.57 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -109.76 -1.41 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB3' ' CG ' ' A' ' 60' ' ' MET . . . -83.96 -21.74 31.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 1.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' HG2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -74.06 163.53 27.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HG2' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -143.98 14.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 4.0 t-20 59.8 125.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.03 -43.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 108.247 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.72 -152.58 27.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 1.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.656 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -130.76 169.46 13.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 1.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.02 6.3 3.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 1.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.08 -34.62 4.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.576 1.172 . . . . 1.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.661 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.4 tt -54.71 163.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.561 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -103.57 -178.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 1.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.98 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -71.15 -35.85 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 110.259 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 81' ' ' ARG . 84.0 m-20 -65.31 -49.14 70.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 1.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 52.2 t -53.27 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.8 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.274 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -76.89 -0.72 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.7 mmt-85 -101.84 -52.33 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 110.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.745 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 1.7 m-20 148.66 113.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 1.0 109.274 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.745 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.2 m 118.23 164.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 108.394 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.738 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 84.5 m -82.21 163.1 22.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 108.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.656 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 34.6 t80 -142.94 94.45 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -124.43 94.91 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.6 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.0 p-10 -84.08 -4.07 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.939 HG23 HD12 ' A' ' 89' ' ' ILE . 9.2 t -32.17 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -116.13 106.51 49.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.646 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 141.56 26.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.646 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 95.64 25.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -149.29 172.97 4.61 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 1.0 109.374 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -74.94 101.29 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.522 1.801 . . . . 1.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.6 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -70.73 -40.84 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.664 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 87.9 m -88.56 94.42 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 108.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.738 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 25.7 p90 -119.24 166.92 12.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 68' ' ' CYS . 6.7 m-85 -81.85 143.03 49.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 1.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 97' ' ' PHE . 18.1 Cg_endo -75.03 106.66 2.32 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.56 1.821 . . . . 1.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.2 mmt -63.88 -94.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.27 -178.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.502 HG23 ' H ' ' A' ' 102' ' ' GLU . 3.1 m -137.38 -111.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 1.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.502 ' H ' HG23 ' A' ' 101' ' ' VAL . 3.9 tt0 51.75 40.37 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 1.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -169.6 29.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' ALA . 1.2 m -102.49 156.5 17.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 108.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.433 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.4 p-80 -164.05 161.3 22.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 1.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.968 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 16.7 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.281 -0.266 . . . . 1.0 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 103.0 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 1.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . . . -70.52 -144.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -122.07 -37.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 m -68.18 -10.37 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 1.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.886 ' HD3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -86.23 7.2 26.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 10' ' ' ARG . 1.6 m -136.18 -56.93 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 1.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' A' ' 9' ' ' SER . 5.9 p -51.58 86.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 1.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 72.89 26.14 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.256 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.614 ' NE2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -29.25 -65.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 2.9 t70 -118.17 146.29 38.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.05 61.84 5.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.443 1.759 . . . . 1.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 83.83 101.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 17' ' ' VAL . 5.2 m-20 -114.07 -26.89 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.1 7.03 5.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 1.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' NZ ' ' A' ' 48' ' ' LYS . 26.6 t -97.43 142.78 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 20' ' ' GLY . 4.1 t-20 -122.31 149.97 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 t -130.39 47.22 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . 174.07 -144.8 7.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.62 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -134.84 162.41 57.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 1.0 111.006 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.73 8.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.19 10.13 24.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.107 . . . . 1.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.017 HG21 ' SG ' ' A' ' 46' ' ' CYS . 5.4 tt -68.2 171.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASP . 16.1 p -128.82 35.09 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.633 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 24.7 p 65.36 -70.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 1.0 109.94 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 26' ' ' SER . 13.6 m-20 -39.83 -69.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -45.41 -25.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 110.265 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -84.83 -45.08 12.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 1.0 108.328 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' HE2' ' CZ ' ' A' ' 106' ' ' TYR . 4.8 m-85 -69.45 -8.15 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.01 -9.66 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -99.43 15.75 25.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.56 6.91 72.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 1.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' CYS . 38.0 m -112.39 159.54 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -98.14 175.33 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.694 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 17.9 t80 -150.89 83.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 1.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 9.1 t70 -101.77 89.99 3.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.598 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -77.65 -11.8 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 7.2 mt-30 -49.26 -18.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.642 ' CG1' HG22 ' A' ' 43' ' ' VAL . 59.6 t -113.56 90.45 17.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -74.98 3.46 5.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 1.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.2 3.18 37.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.573 1.171 . . . . 1.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.643 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.3 m -146.5 -176.33 0.54 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.643 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 120.84 6.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 1.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.598 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 4.5 m0 -67.65 -52.93 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 107.977 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 1.017 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.5 m -89.25 113.16 24.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CD1' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -141.58 -170.4 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' NZ ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.64 126.7 36.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.522 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 -171.72 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -129.85 59.68 46.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 154.59 42.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -147.49 -174.0 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 1.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 55' ' ' SER . 3.7 mt-30 -37.3 158.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.88 59.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 1.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' GLN . 19.0 m -129.24 62.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 98.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 5.2 pt-20 -178.75 -35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.799 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.8 m -82.5 -104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.886 HG11 ' HD3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER 34.93 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.735 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.6 ptp 178.49 153.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -64.28 166.69 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 1.0 110.358 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.552 HG11 HG11 ' A' ' 92' ' ' VAL . 33.1 t -58.48 -35.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.16 16.19 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -115.67 -10.36 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -91.2 12.07 21.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 1.0 110.239 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ARG . 1.2 mttt 28.55 -107.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -178.61 89.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 1.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.605 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 26.3 t -97.46 -80.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 108.331 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -47.88 179.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.63 ' CE1' ' HB ' ' A' ' 73' ' ' ILE . 14.7 p90 -120.74 169.31 9.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 1.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -74.95 79.3 2.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 1.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.553 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 167.24 -28.19 0.17 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 1.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.63 ' HB ' ' CE1' ' A' ' 70' ' ' TYR . 14.3 tt -59.72 160.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 0.749 . . . . 1.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.604 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -111.52 -176.65 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.641 ' HA ' ' CG ' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.93 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.56 1.821 . . . . 1.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.3 mt-10 -61.09 -11.11 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 1.0 110.217 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.533 ' HB3' ' CD ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.0 -54.67 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 1.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 74' ' ' SER . 4.3 t -43.0 -56.14 3.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.082 . . . . 1.0 108.327 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -90.36 25.35 2.26 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -147.61 -50.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.713 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER 146.91 118.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 1.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.713 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.6 m 110.28 147.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 108.373 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.861 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 5.5 m -78.79 169.94 17.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 1.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.641 ' CG ' ' HA ' ' A' ' 75' ' ' PRO . 10.5 t80 -145.33 101.6 3.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 88' ' ' THR . 31.3 t -131.81 87.46 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 110.018 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.6 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -76.07 -2.41 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.784 HG23 HD12 ' A' ' 89' ' ' ILE . 8.4 t -32.17 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.784 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -115.3 107.82 48.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 1.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.6 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.99 137.69 22.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.774 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 1.6 pt-20 93.42 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 1.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.1 m -153.72 178.01 1.76 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -75.02 95.6 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 1.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.6 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.0 m0 -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 1.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.861 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 18.3 m -99.16 127.59 45.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.735 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 1.0 OUTLIER -134.52 -166.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.605 ' CD1' ' SG ' ' A' ' 68' ' ' CYS . 41.3 m-85 -103.22 113.49 65.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 1.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.6 Cg_endo -74.95 107.08 2.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 162.09 -176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 110.947 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.574 ' O ' HG13 ' A' ' 101' ' ' VAL . 3.2 p 67.51 110.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 100' ' ' SER . 5.8 m -156.39 -117.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' H ' HG23 ' A' ' 101' ' ' VAL . 22.6 tt0 33.49 80.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 20.9 p-10 169.01 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 10.2 m -73.85 142.61 46.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.521 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 11.7 p-80 -166.7 -148.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.655 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.636 ' CZ ' ' HE2' ' A' ' 30' ' ' PHE . 10.4 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 1.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.321 -0.251 . . . . 1.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.687 ' NZ ' ' CE2' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -134.59 143.82 48.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -61.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.436 1.756 . . . . 1.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 3' ' ' PRO . . . 162.36 110.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 109.232 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.615 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . . . -53.38 -22.95 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.766 ' SG ' HG12 ' A' ' 101' ' ' VAL . 58.0 m -53.25 -56.98 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 1.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.832 ' HE ' HG13 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -89.37 44.19 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.483 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 33.6 m -149.82 -46.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -83.14 44.28 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 61' ' ' GLN . 5.8 ttt180 177.12 28.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.701 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -51.57 -88.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 110.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 6.3 t0 -153.69 144.72 16.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.5 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.628 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.5 mtpp 153.86 104.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.6 m-20 -128.84 -39.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.44 0.58 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.5 t -103.62 138.6 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 2.5 p30 -138.93 156.96 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 1.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 35.8 t -118.93 38.96 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 1.0 108.283 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.47 -147.22 6.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 1.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -130.07 162.75 52.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.806 . . . . 1.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 1.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.87 8.1 23.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.988 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.5 tt -62.69 169.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.1 p -118.18 25.53 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 110.46 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.692 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 21.7 p 66.34 -69.0 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' OG ' ' A' ' 26' ' ' SER . 26.2 m-20 -41.33 -66.34 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -48.31 -23.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.535 ' SG ' HD13 ' A' ' 24' ' ' ILE . 1.8 t -84.68 -38.61 19.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.0 108.376 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 7.8 m-85 -71.8 -17.46 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.96 -5.69 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 1.0 110.347 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -96.4 20.9 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.069 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.54 6.11 53.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m -115.09 177.79 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -118.32 172.11 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 108.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CB ' ' A' ' 26' ' ' SER . 19.4 t80 -147.67 98.05 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 1.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 14.4 t70 -120.18 92.32 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.702 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 48.1 t -84.68 -6.33 59.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 1.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -49.6 -17.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.0 110.231 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 43' ' ' VAL . 73.7 t -112.7 95.63 33.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.209 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 138.58 23.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 1.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.05 59.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 1.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -128.25 177.33 2.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 1.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.702 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 16.3 m0 -77.44 -49.49 14.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.031 -1.1 . . . . 1.0 108.031 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.988 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.07 115.2 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 1.0 108.281 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.701 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -136.68 -166.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.666 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.62 117.28 51.1 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.0 Cg_endo -75.09 -177.59 3.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.483 1.78 . . . . 1.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.996 HD21 ' OE1' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -125.61 69.56 63.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 1.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.596 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.03 141.0 26.02 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 1.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -119.26 -177.0 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' ALA . 8.5 mt-30 -39.6 164.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 1.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -59.94 -6.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 53' ' ' GLN . 35.4 m -53.41 -38.17 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 1.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 45.27 52.03 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 1.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.33 -32.14 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 1.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 59' ' ' VAL . 88.3 m -83.64 -94.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.832 HG13 ' HE ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER 51.54 121.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.723 ' HG2' ' HB1' ' A' ' 64' ' ' ALA . 1.1 mtm 158.18 138.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.996 ' OE1' HD21 ' A' ' 50' ' ' LEU . 6.4 mm-40 -85.81 166.84 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 1.0 110.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 89' ' ' ILE . 20.6 m -56.89 -16.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.67 10.57 40.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 1.0 110.029 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.723 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -114.09 -29.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.524 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.79 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -156.23 -68.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 3.0 t30 149.93 108.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 2.3 t -122.21 -75.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 108.315 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -57.46 -170.27 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 1.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD1' ' HB ' ' A' ' 73' ' ' ILE . 6.8 p90 -124.06 165.54 23.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 1.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 86.16 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 1.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.495 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 157.42 -23.81 0.44 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.73 HG21 ' SG ' ' A' ' 95' ' ' CYS . 5.1 tt -54.21 175.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.754 . . . . 1.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -122.21 179.91 0.9 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.95 -57.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 1.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -76.07 -12.38 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 1.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -90.29 -48.35 7.2 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.522 ' HA ' HD11 ' A' ' 73' ' ' ILE . 54.1 t -52.43 -62.04 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.02 76.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 1.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -80.5 8.42 7.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.642 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.4 mmm180 -114.33 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 1.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.735 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 2.8 m-20 144.13 113.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.735 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.1 m 117.19 153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 30.8 m -72.05 164.03 26.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 1.0 108.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 36.7 t80 -141.15 99.35 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.3 t -121.4 94.88 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 110.03 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.645 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.1 p-10 -90.26 -4.12 57.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 1.008 HG23 HD12 ' A' ' 89' ' ' ILE . 9.0 t -33.92 -34.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 1.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.008 HD12 HG23 ' A' ' 88' ' ' THR . 0.8 OUTLIER -119.48 111.36 36.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.93 138.65 23.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.418 1.747 . . . . 1.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.1 mt-10 93.93 34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 89' ' ' ILE . 2.1 m -152.95 172.24 5.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.97 89.72 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 1.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.645 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 38.1 m0 -59.86 -38.62 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 1.0 108.021 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.73 ' SG ' HG21 ' A' ' 73' ' ' ILE . 88.1 m -93.8 103.31 15.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.654 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 7.8 p90 -121.01 -170.63 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 74.9 m-85 -95.94 158.1 34.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 1.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' MET . 18.4 Cg_endo -74.99 -9.6 20.86 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.479 1.779 . . . . 1.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PRO . 0.2 OUTLIER 37.31 -150.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 101' ' ' VAL . 7.0 t -142.29 177.17 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.766 HG12 ' SG ' ' A' ' 6' ' ' CYS . 5.0 m -111.74 -116.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 17.4 pt-20 33.98 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 1.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER 153.95 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 6.3 m -55.81 -80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.574 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 2.4 p80 54.52 154.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.687 ' CE2' ' NZ ' ' A' ' 2' ' ' LYS . 99.1 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' OH ' ' A' ' 106' ' ' TYR . 2.2 tmtm? -117.84 103.47 50.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 1.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.4 Cg_endo -74.99 -154.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.64 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . -97.65 -137.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.379 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 104' ' ' CYS . . . -133.95 -44.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -47.89 -34.93 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 108.362 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.733 ' CZ ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.01 27.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 110.35 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.9 m -149.79 -50.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 p -88.72 22.24 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 1.0 110.063 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -157.59 24.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 1.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.517 ' OE1' ' CG ' ' A' ' 47' ' ' PHE . 4.5 mt-30 -60.81 -141.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.537 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 3.5 t70 -99.06 147.01 32.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -75.01 68.12 5.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mttt 80.39 101.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.3 m-20 -123.36 -26.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 89.57 27.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.0 110.315 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.546 HG23 ' HB3' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -103.22 133.89 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 5.9 p30 -129.36 147.87 51.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -139.57 43.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.41 -141.67 3.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CE2' HD12 ' A' ' 24' ' ' ILE . 54.3 p90 -137.85 159.65 67.87 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.52 2.94 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 1.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.9 3.66 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.075 . . . . 1.0 111.036 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.673 HG21 ' SG ' ' A' ' 46' ' ' CYS . 10.0 tt -61.8 166.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 1.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.613 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 11.6 p -107.3 -52.92 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 1.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 2.8 p 156.12 -67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.37 -56.16 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -54.38 -25.97 27.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -83.78 -31.94 25.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 3.4 m-85 -81.1 -10.41 59.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -104.2 -9.99 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.73 7.88 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 1.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.9 14.79 80.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 1.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 73.3 m -115.25 -177.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -120.2 174.82 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 1.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 25' ' ' THR . 2.5 t80 -150.46 136.06 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.67 ' OD2' ' HB2' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -129.06 -77.44 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.824 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 32.9 t 79.34 -18.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 1.0 109.962 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.67 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 7.1 mt-30 -44.17 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 1.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 HG22 ' A' ' 43' ' ' VAL . 71.5 t -116.07 125.74 28.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.32 32.75 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 1.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 81.77 -68.28 3.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 1.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.558 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 2.6 m -45.04 169.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.04 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.591 1.837 . . . . 1.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.824 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 27.2 m0 -68.55 -50.24 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.673 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.61 129.33 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 1.0 108.276 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CG ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -147.32 -166.98 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -108.99 139.42 20.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.241 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.666 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.97 173.64 14.15 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 1.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 pp -122.29 59.94 12.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.1 Cg_endo -75.04 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.455 1.766 . . . . 1.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.37 131.07 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 63.45 166.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 110.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -4.73 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.64 161.21 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 95.2 mt-10 -133.23 101.73 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 3.7 pt-20 170.04 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.4 m -81.72 3.95 23.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.733 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 1.7 t -75.53 131.25 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.8 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 6.4 ptp 176.29 156.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 1.2 mt-30 -79.84 166.5 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.807 HG12 HG11 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -53.08 -19.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 1.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -100.66 48.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.8 ' HB3' ' HG3' ' A' ' 60' ' ' MET . . . -148.62 -38.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.674 ' NH1' HG12 ' A' ' 62' ' ' VAL . 5.3 ptt180 -48.27 -172.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 1.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 11.3 mtpp -143.57 -91.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 2.4 m-80 156.67 89.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 25.1 t -110.24 -94.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . -38.86 168.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.554 1.159 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -110.1 172.99 3.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 1.0 111.007 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.5 Cg_endo -74.98 49.01 2.13 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.454 1.765 . . . . 1.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.25 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.647 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.2 tt -44.97 161.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 0.765 . . . . 1.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -105.65 -177.34 0.49 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.635 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.03 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.1 mt-10 -61.1 -12.28 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 1.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.724 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -89.7 -53.09 4.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 1.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.563 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 43.3 t -48.09 -59.74 3.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.33 83.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 1.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -84.77 9.57 13.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 1.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -114.84 -45.9 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.711 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER 147.69 114.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.276 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 84.4 m 108.97 157.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.79 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 73.4 m -78.56 162.06 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 32.6 t80 -139.76 100.7 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.743 ' OG ' HG22 ' A' ' 88' ' ' THR . 41.0 t -128.34 85.0 2.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 1.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.742 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 6.1 p-10 -70.43 -13.35 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.378 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.743 HG22 ' OG ' ' A' ' 86' ' ' SER . 8.8 t -34.97 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.825 ' O ' HG22 ' A' ' 92' ' ' VAL . 3.4 mm -108.21 99.66 32.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.722 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.92 126.36 9.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 1.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.722 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 6.5 pt-20 109.68 15.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 89' ' ' ILE . 4.4 m -137.57 167.63 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 1.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.742 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 23.7 m0 -48.04 -37.76 15.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 107.988 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.79 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 99.0 m -91.23 88.37 6.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.383 1.052 . . . . 1.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.671 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 9.0 p90 -112.29 173.64 6.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 1.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 68' ' ' CYS . 72.1 m-85 -96.38 123.24 55.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 1.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.483 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.03 107.9 2.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 1.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.55 ' O ' ' CB ' ' A' ' 100' ' ' SER . 1.4 tmt? 171.76 144.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.2 m 155.6 158.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 1.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -30.44 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.7 ' H ' HG23 ' A' ' 101' ' ' VAL . 1.1 pt-20 93.55 23.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.368 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' CYS . 7.6 m-20 -61.57 -4.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.739 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.9 m -37.95 141.29 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 108.264 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.619 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 4.9 p-80 -139.4 -147.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 105' ' ' HIS . 8.4 m-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.32 -0.252 . . . . 1.0 110.32 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 8.9 mttt -73.33 140.08 79.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.719 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.05 -40.85 0.76 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 1.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.761 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . 159.74 -34.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.867 ' HA ' ' CE1' ' A' ' 106' ' ' TYR . . . 92.27 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 1.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 96.0 m -61.11 -15.55 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.666 ' CG ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -114.7 39.64 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.928 ' HB2' ' HE1' ' A' ' 106' ' ' TYR . 4.2 m -150.27 -61.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' ' 104' ' ' CYS . 86.1 p -66.49 -26.98 67.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 1.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -104.14 20.9 17.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 12.0 mm-40 -58.3 -108.29 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.493 1.12 . . . . 1.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' LYS . 9.5 t70 -152.28 145.92 17.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 1.0 109.381 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.6 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.483 1.78 . . . . 1.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.6 mttm 158.22 87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 4.4 m-20 -132.1 2.93 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.748 ' HG3' HG23 ' A' ' 17' ' ' VAL . 11.3 ptp180 43.48 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.748 HG23 ' HG3' ' A' ' 16' ' ' ARG . 4.8 t 85.29 132.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 1.0 109.346 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 15.3 p-10 -131.78 147.77 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 41.3 t -138.66 61.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.22 -135.41 1.92 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.466 1.104 . . . . 1.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.67 ' CE1' HD12 ' A' ' 24' ' ' ILE . 51.7 p90 -154.05 162.07 27.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 1.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 107.49 2.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.428 1.751 . . . . 1.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.5 5.11 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 1.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.67 HD12 ' CE1' ' A' ' 21' ' ' PHE . 5.9 tt -59.19 170.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.9 p -114.74 -55.28 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p 158.5 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 -58.58 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -52.86 -27.66 19.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 1.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.7 t -84.68 -30.22 24.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.868 ' CZ ' ' CD2' ' A' ' 106' ' ' TYR . 24.0 m-85 -89.09 0.18 56.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.407 1.067 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.2 m -106.18 -12.11 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -98.45 13.89 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.24 0.96 79.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -94.91 176.38 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 20.8 m -117.21 172.71 7.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 30.4 t80 -151.76 85.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.1 t70 -108.78 97.0 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.621 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 2.2 m -90.64 18.25 6.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.968 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.02 -14.72 17.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HG22 ' A' ' 43' ' ' VAL . 54.1 t -125.79 128.05 24.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.34 37.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 1.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 77.84 -69.12 2.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.443 1.089 . . . . 1.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.545 HG22 HG12 ' A' ' 40' ' ' VAL . 2.8 m -42.39 164.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -75.01 117.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 1.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 15.4 m0 -78.31 -44.72 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.647 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -88.43 111.82 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -142.14 -157.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.705 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.15 137.72 23.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 1.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.499 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.1 Cg_endo -75.04 -173.09 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 1.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' H ' ' HB3' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -132.21 64.52 72.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.02 143.58 29.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 1.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 51' ' ' PRO . . . 176.17 47.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 58' ' ' CYS . 33.3 mt-30 -161.14 140.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.13 52.08 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 m -165.57 -161.79 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -155.54 66.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 1.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -177.19 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 1.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.538 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 81.6 m -83.8 5.55 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.666 HG11 ' CG ' ' A' ' 7' ' ' ARG . 1.9 t -86.7 134.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.674 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 3.7 ptt? 179.25 179.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.678 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -78.33 149.66 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.595 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -43.01 -58.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 p -49.56 -31.23 10.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -67.68 -9.4 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.595 ' CD ' ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -70.56 172.34 8.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 110.334 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -172.02 103.2 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 1.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 66' ' ' LYS . 14.9 p-10 -37.63 120.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 97' ' ' PHE . 42.4 t -127.87 -3.72 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 1.0 108.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.654 ' CA ' HD21 ' A' ' 82' ' ' ASN . . . -155.94 -155.02 7.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 1.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.699 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -122.59 160.06 50.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.995 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.11 -4.1 56.62 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.516 1.135 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.599 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 1.1 tt -81.15 165.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 0.744 . . . . 1.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -94.26 175.66 2.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 1.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.631 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -91.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 1.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.3 mm-40 -41.91 -29.35 0.21 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 1.0 110.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 4.7 m-20 -72.72 -45.43 58.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.762 ' O ' ' N ' ' A' ' 82' ' ' ASN . 5.4 t -52.91 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 108.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -43.42 -35.38 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.067 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' O ' ' CG ' ' A' ' 81' ' ' ARG . . . -95.09 35.11 1.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.599 ' N ' ' O ' ' A' ' 78' ' ' CYS . 44.3 mtt-85 -168.94 -38.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.762 ' N ' ' O ' ' A' ' 78' ' ' CYS . 4.0 m120 -117.5 -110.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 60.4 m -135.27 -161.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.0 m -49.54 146.79 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.631 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.4 t80 -127.93 94.18 3.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.569 ' OG ' HG22 ' A' ' 88' ' ' THR . 11.7 t -123.99 100.0 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 1.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.627 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 4.7 p-10 -85.93 -9.37 57.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.721 HG23 HD12 ' A' ' 89' ' ' ILE . 2.6 t -31.28 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 1.0 110.451 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.802 ' O ' HG22 ' A' ' 92' ' ' VAL . 1.1 mp -108.75 109.81 61.21 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.94 143.9 29.84 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.583 1.833 . . . . 1.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 12.4 mm-40 88.21 29.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 1.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 89' ' ' ILE . 3.1 m -145.6 166.13 18.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 80.91 2.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.42 1.748 . . . . 1.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.627 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.2 m0 -45.23 -37.4 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.558 ' SG ' HG21 ' A' ' 73' ' ' ILE . 87.1 m -90.9 83.48 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 1.0 108.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 38.9 p90 -114.16 158.93 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 68' ' ' CYS . 72.6 m-85 -68.62 150.61 97.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.76 19.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 1.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.472 ' SD ' ' CE ' ' A' ' 66' ' ' LYS . 6.0 tpt 45.59 -130.74 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t -137.14 156.7 48.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 1.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.494 HG23 ' H ' ' A' ' 102' ' ' GLU . 12.1 m -125.82 -119.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 101' ' ' VAL . 9.3 tt0 36.26 33.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 1.0 110.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.4 t0 -147.43 18.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.47 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 31.7 m -84.65 -82.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 1.0 108.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 106' ' ' TYR . 4.0 p-80 38.11 -153.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0 109.594 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.928 ' HE1' ' HB2' ' A' ' 8' ' ' CYS . 16.5 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.327 -0.249 . . . . 1.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -40.07 100.3 0.21 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.98 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 1.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.802 ' HB3' ' CD ' ' A' ' 7' ' ' ARG . . . 172.12 132.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 109.242 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -62.14 -22.0 65.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 109.371 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 37.9 m -56.12 -21.36 21.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 1.0 108.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.872 ' HG2' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -122.57 36.0 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 3.1 m -149.85 -70.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.4 ' HA ' ' OD2' ' A' ' 37' ' ' ASP . 54.1 p -57.57 -27.43 62.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 30.93 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' A' ' 50' ' ' LEU . 2.0 tp-100 -71.07 -125.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.9 t0 -142.82 138.68 16.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 1.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 45.96 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 1.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 159.55 102.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -132.9 -43.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . 1.4 mpp_? 61.2 58.13 2.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 1.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG11 ' HE3' ' A' ' 48' ' ' LYS . 2.9 t -150.54 39.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.484 ' OD1' ' CB ' ' A' ' 44' ' ' PRO . 5.8 t30 -35.25 149.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 1.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.75 35.0 3.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 108.325 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.91 -145.68 4.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 1.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.756 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -126.9 162.89 44.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 1.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -0.95 10.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.01 11.83 29.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 1.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.959 HG21 ' SG ' ' A' ' 46' ' ' CYS . 2.4 tt -69.91 177.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.9 p -125.73 -56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 5.8 p 161.97 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 110.083 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.7 -57.68 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 1.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -53.68 -26.47 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 110.297 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -82.72 -37.05 25.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 1.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 1.222 ' CD1' ' CE2' ' A' ' 106' ' ' TYR . 13.0 m-85 -80.36 -1.09 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m -120.34 -6.31 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -95.05 12.77 27.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 1.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.76 12.5 84.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' CYS . 67.5 m -121.9 179.38 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -116.67 172.08 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 1.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 16.4 t80 -149.44 98.01 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 1.2 t70 -119.25 100.53 7.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 1.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.59 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 1.3 m -93.35 27.42 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -68.57 -13.37 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 1.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.579 HG12 HG22 ' A' ' 43' ' ' VAL . 48.2 t -126.79 126.79 24.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.6 27.89 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.93 -70.33 2.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 1.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 40' ' ' VAL . 3.0 m -43.21 164.4 0.13 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.484 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . 18.2 Cg_endo -74.97 117.86 5.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 1.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 11.6 m0 -77.52 -41.35 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.959 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.5 m -89.14 109.75 20.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 1.0 108.245 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -138.44 -164.56 1.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -105.07 134.32 19.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 1.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.489 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 173.99 13.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 1.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -125.21 68.38 57.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.489 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.03 168.28 25.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 1.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.4 132.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 1.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 53' ' ' GLN . 2.0 mp0 59.29 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 1.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -73.3 -3.62 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 1.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.15 133.66 40.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 56.7 mt-10 -120.51 80.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 9.3 pt-20 166.34 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' SD ' ' A' ' 60' ' ' MET . 79.4 m -84.84 9.96 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 108.318 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.872 HG11 ' HG2' ' A' ' 7' ' ' ARG . 1.2 t -90.37 137.29 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.211 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.674 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -179.23 176.58 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 1.0 111.089 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 3.1 mt-30 -76.68 158.9 30.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.706 ' CG1' HD13 ' A' ' 89' ' ' ILE . 17.2 m -55.04 -35.3 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -76.39 -21.8 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 1.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -70.86 -43.85 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.505 ' HG2' ' CG ' ' A' ' 60' ' ' MET . 0.3 OUTLIER -66.48 135.21 53.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 110.248 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' PRO . 0.3 OUTLIER -93.93 -107.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.49 93.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 8.7 t -123.56 67.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.03 -172.26 34.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -120.32 160.49 43.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 1.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.53 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.485 1.782 . . . . 1.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -162.73 -38.77 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 1.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.1 tt -39.67 159.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.38 179.21 1.0 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.901 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.6 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.99 -62.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 1.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.63 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 9.9 mt-10 -71.04 -8.61 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 4.1 m-20 -90.41 -52.85 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.611 ' HA ' HD11 ' A' ' 73' ' ' ILE . 14.1 t -52.66 -59.97 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 108.335 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -42.98 74.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 1.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.23 12.08 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.055 . . . . 1.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.613 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 5.0 mmt85 -120.33 -48.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 1.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 2.6 m-20 145.79 114.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.723 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 113.45 150.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 108.28 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 72.9 m -71.45 165.16 24.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 20.5 t80 -142.69 104.55 4.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -127.57 84.73 2.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 110.065 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 88' ' ' THR . 17.8 p-10 -71.97 -4.76 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.0 109.298 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.615 HG23 HD12 ' A' ' 89' ' ' ILE . 3.6 t -22.96 -46.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 1.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.974 HG23 ' HD2' ' A' ' 90' ' ' PRO . 1.5 mp -114.13 150.86 44.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 1.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.974 ' HD2' HG23 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 1.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 1.042 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.0 pt-20 -47.91 75.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.042 HG13 ' O ' ' A' ' 91' ' ' GLU . 6.1 m -171.31 161.82 5.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 18.6 Cg_endo -74.97 84.8 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.8 m0 -48.25 -36.96 14.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 73' ' ' ILE . 94.8 m -101.93 126.04 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 6.7 p90 -139.52 -171.11 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 111.058 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 68' ' ' CYS . 78.9 m-85 -103.45 133.42 20.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.1 Cg_endo -75.03 169.11 23.32 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.557 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 85.5 -14.17 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 1.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.883 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -66.76 64.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.394 1.059 . . . . 1.0 109.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -171.44 -98.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 45.32 25.04 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' VAL . 0.9 OUTLIER -139.95 14.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -82.64 124.23 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 108.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.545 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 21.0 p-80 -144.36 173.7 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 109.644 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 1.222 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 3.8 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.568 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 1.1 mttt -98.2 157.66 34.07 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 1.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.555 1.818 . . . . 1.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 1.185 ' CA ' ' OH ' ' A' ' 106' ' ' TYR . . . -175.32 -167.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -131.19 -24.35 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.46 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 74.5 m -73.68 -3.17 26.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 108.308 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.88 ' HG2' HG11 ' A' ' 59' ' ' VAL . 9.4 mtt85 -125.06 22.29 7.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.7 m -151.46 -41.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.332 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.78 -58.77 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 1.0 110.032 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' O ' ' CD ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -86.56 15.2 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.767 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 20.1 pt20 -60.77 -159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.325 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 3.4 t70 -82.89 146.03 51.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.07 80.99 2.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 1.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.617 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 97.9 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 1.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.5 m-20 -132.69 3.99 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.37 -153.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 1.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.73 HG12 ' NZ ' ' A' ' 48' ' ' LYS . 2.6 t 65.86 132.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 1.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 23.9 t-20 -126.31 132.59 51.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 48' ' ' LYS . 52.5 t -129.24 65.52 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 108.363 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.06 -133.27 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.41 1.069 . . . . 1.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 52.8 p90 -166.95 163.0 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 1.0 110.997 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 107.18 2.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.99 4.24 10.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.437 1.086 . . . . 1.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.896 HG21 ' SG ' ' A' ' 46' ' ' CYS . 6.5 tt -59.03 166.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 1.0 109.238 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.5 p -128.93 39.89 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.609 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 25.1 p 63.77 -69.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 1.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.2 t70 -38.44 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -44.57 -23.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 1.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -88.34 -42.93 11.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 108.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' PHE . 7.5 m-85 -82.71 5.97 19.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.6 m -116.25 -12.61 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.36 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.2 p -100.27 7.23 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.32 14.32 66.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 1.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 m -109.96 160.5 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m -100.79 174.09 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 108.247 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 8.1 t80 -149.8 107.38 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.4 t70 -132.93 92.33 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.676 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 3.0 m -88.82 43.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.95 -13.1 59.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.799 ' CG1' HG13 ' A' ' 43' ' ' VAL . 13.2 t -135.47 111.91 10.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 109.218 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 1.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -115.45 4.37 21.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 1.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.799 HG13 ' CG1' ' A' ' 40' ' ' VAL . 4.0 m -137.79 169.78 12.15 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 0.727 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 121.71 6.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 1.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 3.7 m0 -77.18 -41.96 39.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.963 -1.125 . . . . 1.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.896 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -87.27 109.74 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 108.265 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.767 ' CZ ' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -147.39 -153.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.73 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -121.29 154.57 58.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.513 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -75.06 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 1.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.898 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.37 71.04 24.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 1.0 109.231 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.01 -171.57 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 1.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.31 153.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 53.83 173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -10.07 25.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.84 174.84 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 110.052 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.515 ' O ' ' NH2' ' A' ' 7' ' ' ARG . 37.7 tp10 -124.69 -6.69 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.191 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -107.6 11.96 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -87.38 9.66 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 108.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 50' ' ' LEU . 1.6 t -76.92 126.2 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.604 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -170.93 119.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -64.77 161.02 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.0 m -57.82 79.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.5 m 157.72 -25.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.579 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -82.63 -26.12 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 96' ' ' PHE . 19.3 mtt180 -68.51 110.8 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.582 ' HE2' ' CD2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -86.37 18.39 3.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 1.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 50.1 t30 57.67 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.647 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 44.8 t -159.63 162.43 35.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.19 -149.37 48.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.605 1.19 . . . . 1.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CE2' ' N ' ' A' ' 73' ' ' ILE . 34.6 p90 -123.18 162.97 36.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 79.87 2.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 1.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.11 -28.45 0.2 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.489 1.118 . . . . 1.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.559 ' N ' ' CE2' ' A' ' 70' ' ' TYR . 9.5 tt -44.81 161.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 1.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -113.42 -177.16 0.42 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 1.0 109.989 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 -73.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -47.54 -21.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.57 -35.08 14.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 74' ' ' SER . 3.6 t -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.81 88.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . . . -61.49 -16.65 49.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.597 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -98.15 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 110.36 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 81' ' ' ARG . 8.1 m-20 148.01 55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 82' ' ' ASN . 93.8 m -160.98 146.96 14.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 108.399 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.85 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 81.2 m -83.13 132.81 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 108.372 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.65 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 9.3 t80 -118.22 105.8 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.53 ' OG ' HG22 ' A' ' 88' ' ' THR . 35.4 t -131.07 78.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.605 ' HA ' ' CD1' ' A' ' 94' ' ' TRP . 1.4 p-10 -69.67 -5.75 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.849 HG23 HD12 ' A' ' 89' ' ' ILE . 10.7 t -36.12 -31.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.849 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -121.15 106.32 38.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.6 Cg_endo -74.95 143.99 29.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.8 mm-40 92.59 26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 1.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -152.03 171.34 6.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.94 103.47 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.605 ' CD1' ' HA ' ' A' ' 87' ' ' ASP . 36.5 m0 -69.3 -45.96 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.85 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 16.4 m -89.95 100.89 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 108.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 5.0 p90 -122.26 -171.07 2.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 1.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.647 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 45.6 m-85 -106.17 144.26 28.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 1.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.2 ttm -94.84 159.72 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.9 t -98.91 165.31 11.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 1.0 109.937 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.45 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 2.2 m -59.73 -111.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 14.0 pt-20 43.17 73.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 1.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.3 p30 153.83 -26.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.456 ' SG ' ' OD1' ' A' ' 103' ' ' ASP . 1.8 m -100.17 159.22 15.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 108.247 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.469 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 21.1 p80 -162.02 159.38 26.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.616 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 1.185 ' OH ' ' CA ' ' A' ' 4' ' ' ALA . 55.2 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 1.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.271 -0.27 . . . . 1.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 4.8 mttp -40.38 130.58 1.71 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.414 1.071 . . . . 1.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.798 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.95 165.2 31.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 1.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.744 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . . . -50.44 141.61 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 1.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -81.97 1.08 37.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.22 -2.56 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.01 ' HG2' HG11 ' A' ' 59' ' ' VAL . 2.2 mtp180 -119.97 -3.71 10.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 1.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.885 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.0 m -106.87 -37.4 6.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 1.0 108.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 8' ' ' CYS . 34.0 p -29.23 74.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.885 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.5 ttp-105 39.96 25.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 1.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 7.8 mp0 29.23 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 110.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.619 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 9.6 t70 -133.66 148.27 67.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.619 ' HD2' ' OD1' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -74.97 93.58 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 1.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 95.21 68.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 1.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.583 ' OD1' ' OD1' ' A' ' 12' ' ' ASP . 9.9 m120 -162.93 -40.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 1.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -40.04 115.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 1.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' O ' ' A' ' 18' ' ' ASN . 3.3 t -106.88 28.31 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.534 ' O ' ' O ' ' A' ' 17' ' ' VAL . 1.4 t-20 55.48 152.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 1.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 51.4 t -140.79 12.47 2.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.57 -140.36 3.3 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 24' ' ' ILE . 1.6 p90 -122.54 161.21 44.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 1.0 110.975 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 108.91 2.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 1.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.49 -15.29 8.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 21' ' ' PHE . 11.9 tt -41.82 159.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 0.797 . . . . 1.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 26' ' ' SER . 43.2 p -93.72 -104.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 1.0 110.357 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 61.7 p -149.47 -68.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 1.0 109.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -41.7 -61.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -51.3 -28.38 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 1.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' SER . 14.9 t -84.07 -37.09 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.861 ' CE1' ' HD2' ' A' ' 106' ' ' TYR . 7.7 m-85 -90.13 30.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 32' ' ' SER . 87.2 m -76.62 21.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER 78.54 0.96 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.957 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.81 -50.39 1.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.568 1.167 . . . . 1.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 37.5 m -130.45 175.83 8.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.5 m -112.64 164.34 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 108.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.573 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 40.3 t80 -144.67 103.88 3.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.673 ' OD1' ' C ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -98.4 -61.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.597 1.186 . . . . 1.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.665 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.2 72.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 1.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.0 mt-30 -131.53 -4.01 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.809 ' CG1' HG22 ' A' ' 43' ' ' VAL . 15.4 t -127.3 117.21 21.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 85.26 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.468 1.773 . . . . 1.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.58 -61.55 0.34 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.576 1.172 . . . . 1.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.809 HG22 ' CG1' ' A' ' 40' ' ' VAL . 29.2 m -63.24 169.91 3.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.453 0.737 . . . . 1.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.682 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.91 115.9 4.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.788 . . . . 1.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 30.9 m0 -68.03 -47.48 68.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 1.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 24' ' ' ILE . 2.5 m -87.51 106.47 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.648 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -126.78 -169.75 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.647 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -79.5 149.16 71.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.736 ' O ' ' N ' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.01 50.25 2.48 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD12 ' CG ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER 2.45 65.46 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.736 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.97 177.35 8.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 1.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -162.11 -157.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 1.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' O ' ' O ' ' A' ' 52' ' ' ALA . 20.5 mm100 -37.44 161.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 1.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -52.64 -14.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 53' ' ' GLN . 7.3 m -66.81 175.35 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.2 mt-10 -148.66 77.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.6 pt-20 163.58 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 60.2 m -83.01 3.03 31.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 108.336 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 1.01 HG11 ' HG2' ' A' ' 7' ' ' ARG . 1.5 t -75.06 117.85 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.623 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 31.8 mtm -157.16 171.08 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.542 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 2.8 mt-30 -83.16 160.1 21.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.957 HG12 HG21 ' A' ' 89' ' ' ILE . 3.0 m -48.08 -51.97 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.505 ' N ' ' CG2' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -63.12 -24.82 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 109.98 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -72.26 -56.29 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 60' ' ' MET . 1.6 mtt180 -55.5 119.01 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' PRO . 6.5 tptt -78.96 -111.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 5.9 t-20 -169.07 123.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' CYS . 42.9 t -121.01 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 1.0 108.352 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.28 -152.72 0.27 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.538 1.149 . . . . 1.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 19.1 p90 -123.79 160.81 49.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.4 0.706 . . . . 1.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 1.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.24 -15.0 2.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.793 HG21 ' SG ' ' A' ' 95' ' ' CYS . 4.2 tt -61.25 165.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 109.353 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.622 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -117.78 -175.57 0.33 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 74' ' ' SER . 18.5 Cg_endo -74.93 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 1.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 66.38 -58.13 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 1.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 28.4 m-20 -66.99 -26.64 66.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.64 ' SG ' ' CD1' ' A' ' 85' ' ' PHE . 35.2 t -69.16 -71.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -49.0 -31.7 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.551 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -44.07 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.551 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.22 46.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.336 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.601 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 12.5 m120 -138.4 17.56 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.659 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 25.6 m 73.75 -165.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 68.7 m -59.27 162.22 4.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 1.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' ' SG ' ' A' ' 78' ' ' CYS . 11.2 t80 -142.64 105.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.564 ' OG ' HG22 ' A' ' 88' ' ' THR . 33.2 t -131.84 88.61 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.667 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -73.59 -8.97 58.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.564 HG22 ' OG ' ' A' ' 86' ' ' SER . 10.1 t -34.93 -34.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.957 HG21 HG12 ' A' ' 62' ' ' VAL . 4.2 mm -106.82 101.68 38.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 1.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.08 140.21 24.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 1.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.476 ' C ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 mt-10 85.06 32.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.661 ' CG1' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -153.23 179.1 1.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.31 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.02 106.33 2.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.667 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 46.2 m0 -75.12 -40.98 59.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.793 ' SG ' HG21 ' A' ' 73' ' ' ILE . 75.2 m -91.11 93.97 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.623 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 30.8 p90 -115.24 167.52 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 1.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.659 ' CD1' ' SG ' ' A' ' 83' ' ' CYS . 68.9 m-85 -85.05 142.47 38.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.1 Cg_endo -75.04 -8.02 19.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 1.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.3 ptt? -75.26 149.92 38.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 99' ' ' MET . 2.1 p 153.17 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 1.0 109.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.598 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -35.58 -90.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 2.9 mm-40 94.77 12.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.0 p-10 -101.65 17.68 22.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -39.56 151.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.751 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -142.34 165.37 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.596 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.861 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 39.6 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 2' ' ' LYS . 9.5 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.329 -0.248 . . . . 1.0 110.329 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 1' ' ' GLU . 6.7 tttt 68.22 92.2 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 1.0 109.274 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -74.96 -179.47 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 1.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 106' ' ' TYR . . . -59.92 -117.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -158.07 -42.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 1.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -54.49 -16.93 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 1.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.6 ptm180 -102.69 22.72 13.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.8 m -150.59 -39.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 108.267 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 57.6 p -52.76 -114.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 109.957 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.612 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -75.8 -0.99 22.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.612 ' C ' ' O ' ' A' ' 10' ' ' ARG . 17.4 mt-30 19.67 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 1.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -128.79 153.07 79.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.0 74.8 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 1.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 3.8 ttpp 89.11 91.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 2.9 m-20 -130.69 -0.26 4.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.824 ' HG3' HG23 ' A' ' 17' ' ' VAL . 2.7 ptp180 39.4 -148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.824 HG23 ' HG3' ' A' ' 16' ' ' ARG . 75.8 t 76.34 143.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -130.04 145.54 51.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.6 t -137.53 50.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 108.351 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.42 -138.79 2.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 1.0 111.031 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 44.8 p90 -150.46 163.46 24.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 1.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.85 6.19 12.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.965 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.0 tt -60.19 176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 1.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.6 p -121.26 -54.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 2.9 p 158.16 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.2 m-20 -43.91 -56.09 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -56.1 -26.61 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.4 t -83.72 -30.03 27.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 108.353 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 4.1 m-85 -88.87 -10.81 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.2 m -104.05 -7.98 19.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 1.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -94.23 16.25 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 15.25 80.22 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.8 m -115.25 167.48 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -103.47 164.51 11.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 108.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 38' ' ' SER . 2.6 t80 -149.91 143.39 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -127.89 -84.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.705 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 4.7 p 91.84 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.397 1.061 . . . . 1.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 11.6 mt-30 -46.48 -17.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.684 ' CG1' HG13 ' A' ' 43' ' ' VAL . 86.5 t -111.28 93.45 18.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.5 Cg_endo -74.95 5.21 4.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.418 1.746 . . . . 1.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.9 1.27 35.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 1.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.684 HG13 ' CG1' ' A' ' 40' ' ' VAL . 1.4 m -143.75 179.01 1.26 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.05 121.73 6.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.705 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 4.7 m0 -65.93 -51.9 54.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.499 1.124 . . . . 1.0 108.03 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.965 ' SG ' HG21 ' A' ' 24' ' ' ILE . 4.4 m -87.71 121.92 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -151.77 -167.54 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.5 168.57 9.37 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 154.84 42.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 1.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.683 ' N ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -81.22 -41.55 1.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 27.0 mm100 67.4 167.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 110.325 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.2 59.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLN . 3.9 p -84.38 -91.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' ' NH1' ' A' ' 7' ' ' ARG . 11.0 mt-10 75.12 30.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' CG ' ' C ' ' A' ' 56' ' ' GLU . 3.1 mt-10 -155.31 -39.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 88.2 m -84.18 8.91 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 108.308 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.592 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 2.0 t -76.24 118.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 1.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.716 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -161.61 135.95 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 63' ' ' SER . 33.2 mt-30 -80.07 165.85 22.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.165 . . . . 1.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 62' ' ' VAL . 14.5 p -58.54 79.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.3 m 157.83 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 1.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -85.08 -17.01 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 96' ' ' PHE . 1.5 mmt-85 -58.42 -156.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -168.55 31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' A' ' 66' ' ' LYS . 39.2 m-80 31.73 93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.679 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 1.8 t -120.44 -162.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 45.2 -172.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.663 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 51.5 p90 -127.77 165.77 27.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 1.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.1 Cg_endo -75.0 76.72 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 1.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 168.41 -28.81 0.15 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 1.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.4 tt -57.79 165.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.567 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -129.88 -178.17 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.91 164.73 32.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 1.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.4 mt-10 70.16 -44.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.0 m-20 -75.63 -57.31 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 30.0 t -43.41 -52.29 6.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.0 108.318 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.72 87.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -90.08 23.6 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 77' ' ' ASP . 17.7 mmm180 -136.99 -43.24 0.57 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER 153.1 114.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 1.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 48.3 m 100.83 145.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.665 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 97.0 m -73.65 168.83 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 1.0 108.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 11.6 t80 -143.56 108.35 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.6 t -137.22 87.26 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.631 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -77.4 -2.64 36.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.892 HG23 HD12 ' A' ' 89' ' ' ILE . 10.5 t -34.18 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.892 HD12 HG23 ' A' ' 88' ' ' THR . 1.6 mt -121.63 128.69 25.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 1.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.94 156.31 43.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 1.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER 83.77 -73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 1.0 110.231 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.515 ' CG1' HG23 ' A' ' 62' ' ' VAL . 1.8 m -39.17 164.6 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.98 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.631 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 43.5 m0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.999 -1.112 . . . . 1.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 32.2 m -94.09 104.32 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 108.297 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 7.1 p90 -123.0 -170.48 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 1.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.679 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 5.3 m-85 -102.44 144.89 29.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 97' ' ' PHE . 18.6 Cg_endo -74.95 115.11 4.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.433 1.754 . . . . 1.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.91 87.79 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -44.63 132.46 6.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.017 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -106.16 -101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.2 tt0 89.68 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 1.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -36.79 -37.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -55.45 -177.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.752 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.9 p-80 -144.88 -174.96 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 1.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 4' ' ' ALA . 3.2 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 1.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.472 ' H3 ' ' HB2' ' A' ' 32' ' ' SER . 1.1 mp0 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER 62.35 129.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 1.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.65 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 174.42 12.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.72 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -37.46 -46.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.276 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . . . 88.47 -10.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' SG ' HG12 ' A' ' 101' ' ' VAL . 1.7 m -87.24 13.47 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.574 ' CD ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -133.67 19.94 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 35' ' ' CYS . 3.7 m -117.66 -51.76 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 1.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 p -89.77 -0.02 57.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' NH1' ' OD2' ' A' ' 103' ' ' ASP . 6.3 tpm_? -103.57 -23.12 13.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 mt-30 -49.83 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.551 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t70 -100.57 148.6 35.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.667 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.0 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 1.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.667 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 104.45 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -160.54 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -111.69 157.66 20.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 1.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 18' ' ' ASN . 1.5 t -80.01 -175.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.639 ' H ' HG12 ' A' ' 17' ' ' VAL . 2.7 p-10 -91.87 156.92 17.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 46' ' ' CYS . 51.0 t -139.83 43.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.5 -147.03 6.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.84 166.34 25.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 1.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.37 6.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.592 1.838 . . . . 1.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.68 7.3 20.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 1.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.034 HG21 ' SG ' ' A' ' 46' ' ' CYS . 3.7 tt -62.56 173.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASP . 17.0 p -131.3 39.7 3.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 30' ' ' PHE . 53.7 p 62.73 -71.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 25' ' ' THR . 25.8 m-20 -38.64 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -46.54 -23.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 1.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.9 t -88.58 -37.65 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 3.4 m-85 -88.36 36.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' SER . 85.6 m -69.02 19.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 30' ' ' PHE . 2.0 t 78.87 -0.81 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.84 -55.66 0.65 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 1.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -105.38 162.0 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.3 m -107.4 169.72 8.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 1.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 46.2 t80 -151.73 102.74 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.644 ' C ' ' H ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -96.55 -60.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.718 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER 67.98 -34.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.644 ' H ' ' C ' ' A' ' 37' ' ' ASP . 13.0 mt-30 -48.94 -14.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG12 HG13 ' A' ' 43' ' ' VAL . 97.7 t -107.73 99.16 28.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.3 Cg_endo -74.96 134.69 18.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.429 1.752 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.71 -36.14 4.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.579 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -93.07 179.7 1.24 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 1.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.96 119.55 5.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.764 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.718 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 36.1 m0 -72.62 -51.44 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.02 -1.104 . . . . 1.0 108.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 1.034 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -93.32 104.2 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 1.0 108.351 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 45' ' ' TRP . 3.0 p90 -134.4 -166.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.736 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -88.99 161.47 40.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 1.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.547 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -74.95 159.98 40.85 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 1.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -121.65 68.25 22.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.547 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 174.43 12.79 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 1.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . 175.51 38.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER 158.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 1.0 110.322 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.22 2.97 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 1.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 58.5 m -69.07 -53.1 22.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.999 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.687 ' CG ' ' HB2' ' A' ' 4' ' ' ALA . 3.5 tt0 86.81 13.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 1.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.09 -22.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.0 m -83.02 1.13 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 108.374 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 7' ' ' ARG . 1.5 t -65.09 123.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.658 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -167.42 150.97 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 1.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 9.8 mt-30 -73.24 160.15 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 1.0 110.317 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 HG11 ' A' ' 92' ' ' VAL . 32.6 m -50.94 -46.93 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 1.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 62' ' ' VAL . 2.5 t -70.15 -23.12 62.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -68.97 -58.45 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 26.0 mtt180 -50.8 104.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.484 ' HG3' ' CD1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -57.4 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.408 ' H ' ' CG ' ' A' ' 66' ' ' LYS . 13.8 t-20 171.21 106.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.7 t -125.25 -157.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 1.0 108.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 43.19 -168.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 1.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.659 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 40.9 p90 -130.63 164.79 39.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 1.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.0 86.58 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.549 1.815 . . . . 1.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.69 -21.29 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 1.0 110.989 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.659 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.2 tt -64.18 163.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.607 ' C ' ' CE2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -125.9 -177.37 0.57 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 110.048 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.1 Cg_endo -74.96 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 tt0 67.92 -52.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 1.0 110.274 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.606 ' O ' ' N ' ' A' ' 81' ' ' ARG . 67.4 m-20 -64.38 -59.52 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.431 ' SG ' HD13 ' A' ' 73' ' ' ILE . 8.5 t -45.52 -55.68 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.16 94.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -88.47 19.46 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 77' ' ' ASP . 67.7 mtt-85 -131.74 -42.97 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.658 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 1.7 m-20 149.87 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.658 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 60.8 m 104.41 139.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.614 1.196 . . . . 1.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.612 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 96.8 m -66.45 167.58 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 108.313 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CE2' ' C ' ' A' ' 74' ' ' SER . 20.0 t80 -142.17 105.62 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -132.92 92.03 2.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.608 ' O ' ' C ' ' A' ' 88' ' ' THR . 12.3 p-10 -75.05 0.12 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 1.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.608 ' C ' ' O ' ' A' ' 87' ' ' ASP . 3.4 t -19.63 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.752 HG22 HG22 ' A' ' 92' ' ' VAL . 1.2 mp -123.99 146.84 52.32 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -33.21 4.85 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.86 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -94.16 61.56 2.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.6 1.187 . . . . 1.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 91' ' ' GLU . 17.9 m -165.18 160.08 14.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HG2' ' CB ' ' A' ' 65' ' ' ARG . 18.0 Cg_endo -75.08 80.35 2.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.551 1.816 . . . . 1.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.7 ' NE1' ' O ' ' A' ' 89' ' ' ILE . 32.5 m0 -39.91 -47.01 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 1.0 107.996 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 73' ' ' ILE . 24.0 m -94.83 112.33 24.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.0 108.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.658 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 19.5 p90 -135.66 -172.98 3.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 1.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 6.6 m-85 -103.08 158.21 32.22 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 1.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 100' ' ' SER . 18.3 Cg_endo -74.97 -16.02 20.52 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.516 1.798 . . . . 1.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.536 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER 58.77 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.4 m 157.11 179.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 103' ' ' ASP . 2.7 m -99.61 -111.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.7 OUTLIER 57.67 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 101' ' ' VAL . 7.7 t70 -44.76 -31.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 2.7 m -71.58 -77.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.445 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 20.8 p-80 36.87 -156.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.131 . . . . 1.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 1.276 ' CZ ' ' HB2' ' A' ' 5' ' ' ALA . 1.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.481 ' C ' ' CG ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.259 -0.274 . . . . 1.0 110.259 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.481 ' CG ' ' C ' ' A' ' 1' ' ' GLU . 0.3 OUTLIER -154.02 170.63 8.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 1.0 109.359 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.772 ' HG2' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.91 -77.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.734 ' O ' ' CE2' ' A' ' 106' ' ' TYR . . . -163.35 -103.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . 171.45 -37.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.438 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 62.1 m -57.97 -13.22 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 108.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.834 ' HB3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -113.41 22.7 13.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 110.236 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.15 -66.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 108.244 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 2.3 p -84.73 57.45 4.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 1.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.726 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER 174.77 -19.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 1.0 110.358 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.726 ' O ' ' O ' ' A' ' 10' ' ' ARG . 14.0 tt0 -43.83 -119.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.465 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 1.9 t70 -152.97 147.81 19.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.772 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.97 74.43 3.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.772 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.0 ttpp 117.14 91.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -158.31 -42.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -114.91 169.29 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 1.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' H ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -97.25 178.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 8.6 t-20 -78.06 139.6 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.534 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 39.5 t -127.43 51.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.86 -150.13 8.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 1.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -127.48 164.03 38.73 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.95 8.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 1.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.94 7.51 23.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 1.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.803 HG21 ' SG ' ' A' ' 46' ' ' CYS . 5.3 tt -65.13 174.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 0.749 . . . . 1.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.0 p -124.29 -51.19 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 1.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 6.8 p 160.23 -72.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -61.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.246 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -51.05 -25.14 4.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 t -85.64 -34.94 21.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 1.0 108.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.862 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 9.5 m-85 -86.77 2.08 50.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 1.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -109.82 -11.84 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -98.75 14.3 29.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 1.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.31 86.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 1.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 m -101.42 169.88 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -110.05 174.11 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 33.0 t80 -147.35 89.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 1.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.3 t70 -111.1 81.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.63 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -75.97 -13.3 60.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 1.0 109.966 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.1 mt-30 -49.81 -17.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.693 ' CG1' HG22 ' A' ' 43' ' ' VAL . 93.7 t -113.66 91.71 21.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.535 1.808 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.46 3.21 30.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 1.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.693 HG22 ' CG1' ' A' ' 40' ' ' VAL . 1.5 m -145.89 -175.57 0.48 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.654 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.05 124.52 8.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.63 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 5.5 m0 -73.22 -52.94 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 107.991 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.803 ' SG ' HG21 ' A' ' 24' ' ' ILE . 3.8 m -91.91 109.78 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 1.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -142.59 -158.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 111.043 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.722 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.31 137.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.91 -179.74 5.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.45 1.763 . . . . 1.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.81 ' O ' HG13 ' A' ' 59' ' ' VAL . 1.9 pp -126.92 64.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 -171.82 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.896 ' HB3' ' CB ' ' A' ' 55' ' ' SER . . . -133.53 -175.31 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.644 ' C ' ' H ' ' A' ' 55' ' ' SER . 1.6 mt-30 -58.05 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 59.04 -4.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.896 ' CB ' ' HB3' ' A' ' 52' ' ' ALA . 2.2 m -37.19 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . 11.9 mt-10 64.64 53.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 5.2 pt-20 164.12 -33.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.475 ' O ' ' HE3' ' A' ' 60' ' ' MET . 71.7 m -85.41 7.28 23.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 1.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' ' 7' ' ' ARG . 4.8 t -68.29 131.52 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.717 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.9 ptp 177.12 149.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' ALA . 1.7 mp0 -80.16 159.83 25.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 1.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 89' ' ' ILE . 7.5 p -49.65 -28.91 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 1.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -91.31 30.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 1.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -126.31 -61.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.55 ' NE ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -36.22 155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -111.9 -92.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.572 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 11.9 t30 173.23 113.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 1.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.5 -84.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 108.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.32 -147.22 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 1.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.689 ' CZ ' HD12 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -122.96 157.03 61.5 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 1.0 111.064 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 83.71 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.5 -26.44 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 1.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.689 HD12 ' CZ ' ' A' ' 70' ' ' TYR . 10.4 tt -46.63 161.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 1.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.543 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -80.67 -179.99 1.67 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.06 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.688 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.91 -90.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 6.9 pt-20 -46.79 -33.75 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.02 -30.43 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.544 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 47.6 t -77.52 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.18 . . . . 1.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 78' ' ' CYS . . . -35.99 -34.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.363 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -38.04 -69.19 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.586 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -149.22 50.25 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 110.344 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.544 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 15.3 m120 -142.0 28.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 9.3 m 72.91 -162.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 1.0 108.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.634 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 63.8 m -66.19 162.82 19.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 1.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 75' ' ' PRO . 47.4 t80 -144.47 94.43 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.472 ' HB3' ' HE1' ' A' ' 96' ' ' PHE . 22.9 t -125.42 100.74 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.579 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -81.35 -3.59 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 1.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.808 HG23 HD12 ' A' ' 89' ' ' ILE . 9.5 t -29.69 -41.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.183 . . . . 1.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.808 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -109.41 106.0 57.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 1.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.598 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 139.62 24.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.567 1.825 . . . . 1.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.26 30.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 1.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.548 ' CG1' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -152.57 174.99 3.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.55 ' HD2' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.07 95.54 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 1.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -61.86 -37.93 86.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 1.0 108.038 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.68 ' SG ' HG21 ' A' ' 73' ' ' ILE . 65.7 m -89.27 94.08 9.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.717 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 36.5 p90 -116.15 169.25 9.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 67' ' ' ASN . 71.1 m-85 -86.25 153.33 56.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 1.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.57 87.0 7.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' VAL . 7.3 p -40.95 157.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.472 HG23 ' H ' ' A' ' 102' ' ' GLU . 1.5 m -54.91 -107.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 70.22 -73.1 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -72.42 -14.63 61.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -100.19 136.15 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 108.349 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -161.66 179.27 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 1.0 109.627 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.862 ' CE1' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 1.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' A' ' 1' ' ' GLU . 1.8 mp0 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.358 -0.238 . . . . 1.0 110.358 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.625 ' CE ' ' CE1' ' A' ' 106' ' ' TYR . 2.0 mmmm 67.08 121.55 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 1.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.706 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.95 -34.7 3.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' A' ' 5' ' ' ALA . . . 161.28 -105.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . 161.75 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -69.66 -4.03 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 108.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -121.74 17.11 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 1.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HA ' ' HG3' ' A' ' 11' ' ' GLN . 1.7 m -132.19 -42.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -92.09 -20.39 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 1.0 109.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.548 HH22 ' HB1' ' A' ' 64' ' ' ALA . 4.3 ttt180 -90.69 -22.72 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 110.281 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 6.6 mt-30 -46.75 168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.451 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 6.0 t70 -91.01 145.67 32.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.716 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.1 85.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 1.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.716 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 15.3 ttmt 108.32 81.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -162.37 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 1.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.624 ' HG3' ' CG ' ' A' ' 47' ' ' PHE . 5.6 mmp_? -57.15 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 18' ' ' ASN . 1.4 t -138.78 32.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.1 t-20 60.87 142.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 1.0 109.237 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.5 t -140.99 60.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.19 -148.92 13.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.64 ' O ' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -129.07 164.73 37.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 1.0 111.016 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.98 2.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.526 1.803 . . . . 1.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ILE . . . 118.75 -9.62 12.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 1.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 21' ' ' PHE . 8.4 tt -42.96 165.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.587 ' O ' ' C ' ' A' ' 26' ' ' SER . 48.8 p -114.08 124.25 51.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' PHE . 83.2 p -22.86 -71.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' PHE . 98.8 m-20 -37.53 -71.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 1.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' HG2' ' OG1' ' A' ' 25' ' ' THR . 13.0 mm100 -46.49 -28.51 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.387 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 t -81.94 -32.75 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 106' ' ' TYR . 4.8 m-85 -91.08 35.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 31' ' ' THR . 51.9 m -71.19 14.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 1.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 79.38 -5.71 1.91 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 1.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.71 -40.71 4.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.1 m -129.87 175.76 8.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 3.8 m -119.38 168.65 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 108.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 18.4 t80 -139.99 95.29 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.0 t70 -121.93 88.72 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.689 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 31.4 t -84.76 -11.19 56.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 1.149 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 13.1 mt-30 -50.72 -13.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 HG13 ' A' ' 43' ' ' VAL . 87.1 t -111.21 94.15 20.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.03 132.19 15.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 1.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.09 -17.52 34.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG13 HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -116.42 178.1 1.06 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 1.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 119.62 5.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 1.0 111.032 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.689 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 23.6 m0 -73.27 -53.47 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 8.9 m -89.58 107.2 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CG ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -134.0 -166.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -111.5 143.04 27.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.45 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 157.73 42.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 1.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.759 ' CB ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -52.84 -73.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.759 ' HD3' ' CB ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.97 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 1.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.9 54.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -139.82 142.66 36.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.67 0.01 19.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m -43.66 -56.33 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 110.048 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.57 81.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 1.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 174.44 -33.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.85 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.6 m -84.1 -84.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.85 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.9 OUTLIER 26.59 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.78 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 4.3 ptp 179.08 138.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 1.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.6 mt-30 -83.82 165.99 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 62' ' ' VAL . 12.3 p -61.01 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t 160.39 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -81.69 -16.82 50.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 178.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.681 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -129.6 -34.48 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.681 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 26.5 t30 98.36 84.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.9 t -120.95 -168.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 108.253 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 46.57 -176.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 1.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.654 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 44.8 p90 -125.57 164.36 33.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 81.4 2.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 1.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.31 -25.75 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 1.0 111.027 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.654 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 4.6 tt -56.79 160.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 1.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.558 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -97.32 -178.97 0.8 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 1.0 109.971 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.493 1.786 . . . . 1.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -50.7 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 1.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -64.58 -53.72 43.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 41.8 t -50.55 -65.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 108.374 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.21 61.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.57 13.73 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.603 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 9.1 mmt180 -121.86 -45.91 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 1.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 10.7 m-20 146.62 113.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.721 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 111.17 143.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.705 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 47.7 m -66.15 164.49 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.3 t80 -142.79 99.72 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.556 ' OG ' HG22 ' A' ' 88' ' ' THR . 45.7 t -132.1 97.27 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.574 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 1.8 p-10 -82.28 -6.02 58.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 89' ' ' ILE . 5.1 t -31.48 -40.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.804 HD12 HG23 ' A' ' 88' ' ' THR . 1.0 OUTLIER -108.93 103.89 53.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.97 140.73 25.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 1.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.07 28.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.534 ' CG1' HG22 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -152.09 177.11 2.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 1.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 103.49 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 1.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.574 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 40.3 m0 -71.21 -39.4 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.6 m -91.66 93.51 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 108.246 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.744 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 20.2 p90 -113.01 -173.18 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 67.1 m-85 -103.76 162.39 20.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 1.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.01 17.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.823 . . . . 1.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.762 ' HG3' HG22 ' A' ' 101' ' ' VAL . 9.5 ptt? -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.42 ' OG ' ' C ' ' A' ' 99' ' ' MET . 0.0 OUTLIER 61.89 79.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 1.0 109.958 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.762 HG22 ' HG3' ' A' ' 99' ' ' MET . 0.5 OUTLIER -138.01 -93.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.64 ' H ' HG23 ' A' ' 101' ' ' VAL . 4.0 tt0 94.06 -20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 105' ' ' HIS . 99.4 m-20 -71.22 -9.32 57.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 11.6 m -41.63 -45.64 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 108.361 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.812 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.3 p80 36.99 -154.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.535 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.776 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 53.0 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 2.5 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 8.3 mttt 165.03 125.01 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.0 -70.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 1.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.579 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -178.94 -174.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.854 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -112.6 -15.35 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.9 m -76.65 -6.64 52.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 108.27 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HE ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -121.38 30.43 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CA ' ' OE1' ' A' ' 11' ' ' GLN . 2.1 m -147.26 -46.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 108.289 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 20.9 p -88.7 69.32 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.668 ' O ' ' C ' ' A' ' 11' ' ' GLN . 2.0 mmm180 158.43 -23.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 1.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.668 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -10.97 -92.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.5 t70 -150.99 145.61 18.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.04 67.86 5.89 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.492 1.785 . . . . 1.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 89.84 101.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.5 m-20 -117.01 -33.17 4.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER 85.27 3.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.435 1.085 . . . . 1.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.96 142.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 0.5 OUTLIER -130.95 160.37 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.25 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -140.13 55.7 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 108.268 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.76 -122.23 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.871 ' CE1' HD12 ' A' ' 24' ' ' ILE . 4.5 p90 -161.37 161.42 23.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 1.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 1.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.6 -1.1 11.22 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.871 HD12 ' CE1' ' A' ' 21' ' ' PHE . 3.8 tt -50.25 165.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 22.0 p -108.06 -57.99 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 1.0 110.367 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.8 p 159.93 -67.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -43.62 -55.09 4.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.58 -28.56 55.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 6.4 t -84.16 -38.17 21.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 1.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 3.4 m-85 -89.31 38.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' THR . 86.0 m -81.54 23.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 110.367 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.469 ' HB3' ' H1 ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER 79.22 2.55 2.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 1.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.38 -61.34 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 1.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 37.9 m -114.87 170.1 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 1.0 108.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.551 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -110.12 169.92 8.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 108.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 48.5 t80 -151.25 115.64 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -102.29 -60.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.689 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.19 75.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 1.0 110.03 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.492 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 5.1 mt-30 -134.14 -8.53 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.779 ' CG1' HG13 ' A' ' 43' ' ' VAL . 6.8 t -137.68 116.77 9.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 4.18 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 1.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -112.52 4.71 26.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.143 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.779 HG13 ' CG1' ' A' ' 40' ' ' VAL . 3.3 m -139.32 169.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.598 0.822 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.05 121.33 6.49 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.545 1.813 . . . . 1.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.689 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 21.2 m0 -74.13 -46.61 41.49 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.082 -1.081 . . . . 1.0 108.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.737 ' SG ' HG21 ' A' ' 24' ' ' ILE . 3.5 m -88.49 124.52 34.07 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -144.22 -169.97 3.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 110.997 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -104.92 132.63 20.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 1.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.545 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.99 -165.62 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 1.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.912 HD22 ' CG ' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -137.87 56.95 12.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 137.9 22.25 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 1.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.641 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -165.96 74.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.641 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 2.2 mm-40 151.41 167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.56 5.57 14.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.445 ' CB ' ' HG2' ' A' ' 57' ' ' GLU . 57.0 m -152.01 153.71 34.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 44.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 110.365 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 55' ' ' SER . 8.5 pt-20 -109.6 -30.23 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' SD ' ' A' ' 60' ' ' MET . 66.8 m -84.44 -74.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.749 ' O ' ' HB2' ' A' ' 60' ' ' MET . 1.5 t 44.05 -147.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.749 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER 78.18 142.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 111.068 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.912 ' CG ' HD22 ' A' ' 50' ' ' LEU . 11.2 mt-30 -86.45 169.75 12.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 1.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.599 ' CG1' HD13 ' A' ' 89' ' ' ILE . 19.7 m -51.18 -32.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 p -97.69 46.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 1.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.36 -45.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 1.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.613 HH12 HG21 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -51.57 128.73 23.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 1.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.491 ' CD ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 tmtp? -111.38 128.33 55.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 1.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LYS . 6.9 p30 -37.49 110.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.619 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 7.9 t -132.17 103.79 6.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 108.26 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.29 -150.08 17.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.427 1.08 . . . . 1.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -120.54 153.48 56.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 1.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 8.29 2.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 1.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.99 -16.59 10.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 1.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.529 ' CG2' ' SG ' ' A' ' 95' ' ' CYS . 4.4 tt -59.96 165.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 1.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -127.04 -176.42 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.05 169.14 23.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 1.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 tm-20 69.98 -51.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 1.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 81' ' ' ARG . 33.4 m-20 -73.87 -50.64 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 47.6 t -46.22 -39.32 9.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 108.33 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.78 -36.68 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.49 20.42 2.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mmp_? -131.2 -48.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.731 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.8 m-20 149.79 114.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.731 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 99.6 m 115.65 145.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 108.339 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 9.9 m -70.94 168.46 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 47.7 t80 -143.45 97.86 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 t -128.18 97.43 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.619 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 5.3 p-10 -90.02 -2.11 58.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.929 HG23 HD12 ' A' ' 89' ' ' ILE . 9.8 t -34.92 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.929 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -121.7 129.94 24.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.329 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.03 149.39 36.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.544 1.812 . . . . 1.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER 89.16 -68.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 1.0 110.287 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.613 HG21 HH12 ' A' ' 65' ' ' ARG . 12.2 m -39.48 161.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.446 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.01 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.438 1.757 . . . . 1.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.619 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -51.78 -43.54 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 1.0 107.969 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 96.1 m -95.5 108.7 20.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 84' ' ' CYS . 7.3 p90 -130.55 -172.41 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 80.5 m-85 -97.89 147.29 32.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.95 25.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.53 151.94 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.48 127.31 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 1.0 110.058 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -147.2 -97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 5.7 tt0 88.32 31.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 9.5 p-10 -163.88 31.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 3.3 m -65.42 -58.04 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.854 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 7.8 p-80 54.07 165.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 1.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.5 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 89.4 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.629 ' NZ ' ' CZ ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -40.15 123.16 1.67 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 1.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.689 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.98 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 1.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.77 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . 162.23 -43.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.335 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . . . 103.48 -9.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.02 ' SG ' HG12 ' A' ' 101' ' ' VAL . 96.1 m -79.48 -5.36 54.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 1.0 108.366 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.734 ' HG2' HG11 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -134.76 40.86 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 1.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.647 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.3 m -142.67 -41.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 1.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.545 ' C ' ' O ' ' A' ' 8' ' ' CYS . 24.3 p -26.88 87.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.647 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 41.32 31.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 18.63 -94.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 110.336 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.536 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 5.1 t70 -138.35 148.2 58.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 81.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.791 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 7.9 tttp 97.66 97.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 1.2 m120 -139.96 -22.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 5.0 ptp85 42.77 78.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG11 ' NZ ' ' A' ' 48' ' ' LYS . 2.0 t -151.31 38.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.493 ' C ' ' O ' ' A' ' 17' ' ' VAL . 12.4 t-20 -33.52 148.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -133.53 16.63 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 108.248 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . -154.19 -135.91 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 1.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.759 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -141.14 164.44 35.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 1.0 110.996 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.31 7.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 1.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.11 12.58 16.96 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.49 1.119 . . . . 1.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.016 HG21 ' SG ' ' A' ' 46' ' ' CYS . 2.6 tt -68.37 175.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.404 0.708 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.6 p -141.0 46.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 29' ' ' CYS . 80.5 p 60.64 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 m-20 -38.75 -67.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -48.27 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.305 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.7 t -90.0 -34.84 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 108.26 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 6.1 m-85 -91.94 8.44 37.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.0 m -115.51 -13.48 11.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.463 1.102 . . . . 1.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 p -99.78 9.14 43.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.0 110.027 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.43 -4.52 86.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 1.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 95.6 m -85.81 171.75 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 2.1 m -114.86 160.29 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 108.318 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 38' ' ' SER . 24.9 t80 -143.51 142.0 30.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 1.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -131.56 -57.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.603 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER 51.5 64.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 1.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.498 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.4 mt-30 -129.15 -6.25 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 1.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG12 HG22 ' A' ' 43' ' ' VAL . 24.2 t -126.91 123.86 23.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 118.45 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 1.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.76 -64.2 0.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 1.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.707 HG22 HG12 ' A' ' 40' ' ' VAL . 10.5 m -54.97 167.17 0.67 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 1.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.02 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 110.997 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.603 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 37.6 m0 -66.71 -45.44 78.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 1.016 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.3 135.8 33.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -151.33 -167.82 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 111.02 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.548 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -114.12 155.17 45.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.526 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 170.16 21.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 1.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.045 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -118.99 72.48 11.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.223 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -75.06 149.73 36.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 1.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.71 148.48 26.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 56.58 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.336 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.96 -7.12 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 1.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 2.2 t -65.54 -53.03 47.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.631 1.207 . . . . 1.0 110.022 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 55' ' ' SER . 14.9 tt0 88.46 -27.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.82 11.45 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 55' ' ' SER . 77.6 m -86.97 9.81 18.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 1.0 108.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 1.045 HG13 ' O ' ' A' ' 50' ' ' LEU . 2.1 t -72.36 145.8 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.856 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 10.8 ptp 175.74 138.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 9.8 mt-30 -84.78 166.19 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.347 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.848 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -57.64 83.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 156.99 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.856 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -81.71 -18.59 43.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.596 ' HD3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.07 -171.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -151.37 -110.44 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -176.79 74.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 109.369 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 35.1 t -111.62 64.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 108.275 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.81 -176.24 35.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.413 1.071 . . . . 1.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.772 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -123.03 162.23 40.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 1.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 1.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.26 -14.89 23.08 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.381 1.051 . . . . 1.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.772 HG22 ' O ' ' A' ' 70' ' ' TYR . 14.2 tt -69.85 165.01 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -106.97 178.41 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.622 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -75.0 -61.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.433 1.754 . . . . 1.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 28.5 mt-10 -70.99 -11.2 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -87.42 -52.73 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 1.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 73' ' ' ILE . 15.9 t -51.63 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 1.0 108.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.81 -43.98 66.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.12 12.53 5.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 1.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.5 mmt180 -120.11 -46.16 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.734 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 3.1 m-20 142.44 116.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 1.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.734 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 74.9 m 115.88 149.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 1.0 108.263 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.709 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 71.2 m -71.92 154.83 40.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 19.8 t80 -140.19 100.11 3.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.565 1.166 . . . . 1.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.1 t -131.02 92.43 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 110.014 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.605 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.4 OUTLIER -79.44 -1.61 38.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 1.0 109.382 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.931 HG23 HD13 ' A' ' 89' ' ' ILE . 11.9 t -34.17 -34.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.931 HD13 HG23 ' A' ' 88' ' ' THR . 1.2 mp -120.01 109.49 37.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 1.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.639 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.9 140.49 25.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 1.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.639 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.3 mm-40 97.97 21.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.734 HG11 ' CG2' ' A' ' 62' ' ' VAL . 2.5 m -142.29 165.53 26.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.99 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.57 1.826 . . . . 1.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.605 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 20.6 m0 -53.42 -39.04 64.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 108.024 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.696 ' SG ' HG21 ' A' ' 73' ' ' ILE . 92.7 m -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.824 ' CE2' ' HE1' ' A' ' 60' ' ' MET . 14.4 p90 -112.05 -169.95 1.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 1.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 57.5 m-85 -100.05 140.34 21.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 99' ' ' MET . 18.2 Cg_endo -74.99 176.91 9.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.431 1.753 . . . . 1.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 73.21 -165.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 99' ' ' MET . 0.9 OUTLIER 78.6 113.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 1.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.02 HG12 ' SG ' ' A' ' 6' ' ' CYS . 1.9 m -135.0 -103.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER 39.83 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 1.0 110.233 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.79 ' N ' ' O ' ' A' ' 101' ' ' VAL . 14.6 t0 -37.8 -28.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' A' ' 101' ' ' VAL . 4.5 m -60.82 140.64 57.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.587 1.179 . . . . 1.0 108.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -173.17 -179.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 1.335 ' CZ ' ' HB2' ' A' ' 5' ' ' ALA . 47.9 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 1.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 -84.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.861 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . . . -159.41 -171.61 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.659 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -98.52 -32.47 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m -72.06 -20.01 61.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.861 ' HG3' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -81.05 -11.04 59.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.06 -70.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 108.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 p -50.85 -55.44 16.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 110.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.02 50.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 1.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -79.58 -101.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.543 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.2 t70 -151.29 146.6 19.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 1.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.06 78.36 2.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 1.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 91.03 108.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -116.65 -7.09 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 45.15 23.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 15' ' ' ASN . 60.4 t -132.97 149.91 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 3.2 p30 -130.03 163.08 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -138.64 24.94 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 108.277 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.94 -139.23 3.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 1.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' A' ' 24' ' ' ILE . 53.5 p90 -144.4 161.27 45.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 1.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 112.17 3.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.533 1.807 . . . . 1.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.68 3.65 16.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 1.0 111.081 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.909 HG21 ' SG ' ' A' ' 46' ' ' CYS . 3.5 tt -58.34 175.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' SER . 23.4 p -119.0 -55.35 2.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 4.6 p 159.93 -74.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.4 t70 -41.44 -56.14 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -55.64 -26.71 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.1 t -84.43 -31.89 24.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 108.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 22.6 m-85 -85.36 -8.82 58.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ASP . 19.8 m -99.52 -10.61 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -95.85 12.97 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.59 7.92 85.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 59.1 m -108.85 161.15 15.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.517 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -101.4 167.78 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 41.7 t80 -150.07 126.89 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.737 ' O ' ' HB3' ' A' ' 38' ' ' SER . 0.2 OUTLIER -121.96 -70.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 1.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.862 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 30.0 t 84.53 -31.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 110.059 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.636 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -30.42 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 110.301 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.556 HG12 HG13 ' A' ' 43' ' ' VAL . 39.0 t -93.43 108.32 32.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.06 136.25 20.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 1.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.08 -52.71 0.98 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 1.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -70.05 -179.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 1.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 117.24 4.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.432 1.754 . . . . 1.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.862 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 34.3 m0 -74.03 -49.13 25.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.909 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -89.46 118.82 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 108.258 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -140.24 -165.61 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 1.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -97.43 164.38 17.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.289 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -170.18 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.55 1.816 . . . . 1.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.71 HD21 ' CG ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -138.19 59.38 18.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.03 157.33 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.607 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -172.77 39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER 168.07 155.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.227 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.89 2.19 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 1.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -131.67 128.53 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 1.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.35 55.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' SD ' ' A' ' 99' ' ' MET . 10.1 pt-20 -125.51 -31.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 84' ' ' CYS . 81.6 m -84.46 -78.91 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 108.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.72 ' O ' ' HB3' ' A' ' 60' ' ' MET . 1.8 t 49.45 116.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.821 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 14.4 ptp 163.08 145.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.71 ' CG ' HD21 ' A' ' 50' ' ' LEU . 2.8 mt-30 -87.73 171.1 10.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.884 HG12 HH12 ' A' ' 65' ' ' ARG . 2.4 m -63.33 79.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 161.51 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.956 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -86.91 -7.94 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.884 HH12 HG12 ' A' ' 62' ' ' VAL . 18.3 mtt180 -80.32 8.63 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.685 ' CE ' ' CE2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 35.95 -98.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.584 ' C ' ' HE2' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 160.72 82.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' CYS . 41.8 t -77.57 -84.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.97 -155.23 0.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.738 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -122.47 158.46 56.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.764 . . . . 1.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 7.76 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 1.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 -13.43 13.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 1.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.642 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 3.3 tt -75.35 164.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -115.99 -176.55 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.963 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.664 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.93 174.38 12.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 1.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.38 -58.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.859 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 7.9 m-20 -63.74 -35.18 79.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.494 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 40.9 t -62.42 -70.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.102 . . . . 1.0 108.356 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.22 -12.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 77' ' ' ASP . . . -54.88 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.521 ' HD2' ' HB1' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.86 48.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 73' ' ' ILE . 10.6 m120 -134.33 -108.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 4.6 m -154.95 -168.24 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 108.252 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 4.0 m -47.06 157.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 75' ' ' PRO . 73.2 t80 -143.42 82.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.478 ' OG ' HG22 ' A' ' 88' ' ' THR . 40.7 t -112.01 93.16 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.628 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -83.43 -6.63 59.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.955 HG23 HD12 ' A' ' 89' ' ' ILE . 9.0 t -34.38 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.955 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -117.93 106.97 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.01 144.5 30.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.452 1.764 . . . . 1.0 111.017 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.615 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 92.78 25.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.325 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.52 HG21 ' NH1' ' A' ' 65' ' ' ARG . 1.1 m -147.8 169.03 9.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 65' ' ' ARG . 17.9 Cg_endo -75.08 100.58 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 1.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.628 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 37.6 m0 -68.89 -46.18 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.814 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 75.2 m -83.48 92.01 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.348 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.792 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 30.8 p90 -122.15 159.53 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.157 . . . . 1.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' ' CE ' ' A' ' 66' ' ' LYS . 22.5 m-85 -65.46 151.09 95.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.43 36.59 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.537 1.809 . . . . 1.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.49 ' HG2' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -40.98 -36.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 1.0 111.032 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.49 ' N ' ' HG2' ' A' ' 99' ' ' MET . 33.8 m 35.74 69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.607 1.192 . . . . 1.0 109.963 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -151.11 -98.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.7 mt-10 90.03 0.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -92.8 25.17 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 1.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.09 177.02 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.659 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 43.7 p-80 -163.08 -167.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 1.0 109.528 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.889 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 12.3 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.539 ' HZ1' ' HE2' ' A' ' 106' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.549 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 -92.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.389 1.731 . . . . 1.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 1.011 ' HA ' ' OH ' ' A' ' 106' ' ' TYR . . . -174.75 143.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 1.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -61.01 -27.83 68.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 1.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.0 m -64.99 -13.13 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 108.204 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.821 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.32 14.29 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 110.259 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.666 ' O ' ' N ' ' A' ' 10' ' ' ARG . 5.2 m -134.15 -38.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 108.241 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.5 p -30.67 86.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 1.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 44.61 23.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 21.89 -91.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.593 1.183 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -119.13 152.89 52.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.4 Cg_endo -74.99 78.31 2.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 1.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 79.57 100.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CG ' ' CG ' ' A' ' 12' ' ' ASP . 3.7 m-20 -130.54 -3.34 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.379 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 64.25 8.61 4.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 1.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.1 t -63.89 167.71 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.565 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 2.9 p30 -172.75 130.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -140.17 28.17 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.23 -154.61 8.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.11 . . . . 1.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.935 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -126.74 163.31 41.86 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 1.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.61 10.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.377 1.725 . . . . 1.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.68 15.84 21.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.065 HG21 ' SG ' ' A' ' 46' ' ' CYS . 1.4 tt -71.71 -178.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 1.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CB ' ' A' ' 26' ' ' SER . 19.3 p -127.1 -48.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 1.0 110.433 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.1 p 151.07 -76.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.5 p-10 -41.08 -53.97 2.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -55.49 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.7 t -82.21 -39.24 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 1.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 106' ' ' TYR . 13.3 m-85 -76.19 -13.52 60.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 1.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.8 m -101.47 -11.02 19.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 1.0 110.362 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -94.74 20.39 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.92 44.55 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.8 m -110.25 165.21 11.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.574 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 24.9 m -104.94 162.88 12.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 1.0 108.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 36.7 t80 -150.63 113.21 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -102.45 -78.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 1.0 109.269 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.785 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER 88.15 -26.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 1.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.552 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 13.3 mt-30 -42.21 -21.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.572 HG12 HG13 ' A' ' 43' ' ' VAL . 97.9 t -106.06 101.9 36.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -75.04 129.1 12.0 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.16 -41.19 2.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.611 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -87.63 -175.43 0.58 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 1.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.611 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.1 123.7 8.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 1.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.785 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 33.3 m0 -82.17 -49.94 9.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 1.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 1.065 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.3 m -89.34 129.57 35.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 1.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.34 -167.89 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 110.965 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.571 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -94.01 165.33 18.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.226 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.503 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.02 153.99 42.09 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.525 1.803 . . . . 1.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -120.62 71.57 19.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 1.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -148.38 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 52' ' ' ALA . 3.1 mt-30 -35.34 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -54.17 -13.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 53' ' ' GLN . 68.2 m -93.65 90.12 6.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.047 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 tt0 -48.12 96.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 1.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.6 pt-20 165.33 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.5 m -80.13 -4.17 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 108.21 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.3 t -62.34 107.39 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.93 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 34.3 mtm -154.72 146.28 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -84.5 166.31 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 62' ' ' VAL . 13.5 p -60.84 83.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.3 m 158.99 -25.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.93 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -81.41 -19.21 43.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.484 ' CG ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -52.04 175.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 110.269 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 4.1 mmtm -131.92 4.88 4.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 41.4 t30 61.95 87.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.256 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.671 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 3.0 t -128.53 -173.46 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 1.0 108.319 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.27 -173.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -129.35 167.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 1.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 66.8 6.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 1.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -178.62 -36.52 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 1.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.518 HG21 ' SG ' ' A' ' 95' ' ' CYS . 14.2 tt -48.54 159.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -105.75 -178.25 0.59 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.611 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.08 -66.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 1.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -63.36 -12.59 31.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' ARG . 61.0 m-20 -91.21 -45.7 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 48.0 t -52.35 -62.27 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 1.0 108.346 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.81 82.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -69.21 -7.53 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -104.57 -57.65 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.738 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 6.7 m-20 151.23 107.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.738 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 66.0 m 120.55 149.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 1.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.773 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 77.1 m -74.31 165.11 25.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.7 t80 -142.46 105.03 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 t -135.62 100.9 4.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.578 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -83.46 -0.73 51.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.817 HG23 HD12 ' A' ' 89' ' ' ILE . 9.5 t -32.22 -37.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.817 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -114.79 107.67 50.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.03 140.01 24.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 1.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.2 mt-10 90.86 31.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 1.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -153.76 177.73 1.87 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.07 97.49 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 1.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.2 m0 -64.75 -38.22 90.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.773 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.1 m -95.12 107.38 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 1.0 108.292 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 3.5 p90 -120.95 -171.21 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.671 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 47.8 m-85 -108.38 130.46 22.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.177 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.3 Cg_endo -75.02 109.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 1.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.632 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER 162.37 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 1.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 99' ' ' MET . 5.2 p 98.51 171.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.547 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -33.35 -95.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 101' ' ' VAL . 18.5 mt-10 88.92 29.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.3 t0 -87.92 22.62 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -41.22 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.861 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -150.9 178.01 9.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 1.0 109.573 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 1.011 ' OH ' ' HA ' ' A' ' 4' ' ' ALA . 39.2 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 106' ' ' TYR . 1.9 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 17.9 Cg_endo -75.13 28.29 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.787 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 81.72 154.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.005 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -106.65 -15.9 14.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.514 ' SG ' HG21 ' A' ' 101' ' ' VAL . 36.2 m -66.5 -16.26 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.787 ' NE ' ' HB3' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -111.55 29.95 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.2 m -148.25 -58.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 108.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 96.9 p -46.73 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.454 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -76.32 52.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HG3' HD23 ' A' ' 50' ' ' LEU . 58.8 tt0 -75.77 -86.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.135 . . . . 1.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' A' ' 14' ' ' LYS . 6.7 t70 -150.43 146.19 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.98 32.54 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.4 mttt 163.8 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 1.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 1.3 m-80 -100.24 -11.96 19.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 17' ' ' VAL . 11.0 mtm105 43.63 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 16' ' ' ARG . 10.6 t -28.79 134.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 35.1 m-80 -103.52 158.76 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HB2' ' C ' ' A' ' 47' ' ' PHE . 3.9 t -131.61 56.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.3 -142.02 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 1.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.615 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.46 164.09 42.56 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 1.0 111.048 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.82 8.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 1.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.23 16.55 17.52 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.976 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.9 tt -75.18 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' SER . 7.8 p -131.53 -58.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 110.453 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER 177.08 -71.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.26 -60.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -56.47 -25.15 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' HD13 ' A' ' 24' ' ' ILE . 2.6 t -94.0 1.24 56.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 1.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.859 ' CE1' ' HD1' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -137.97 32.63 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 32' ' ' SER . 49.5 m -137.26 -108.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 1.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER -93.74 29.94 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -117.62 -93.65 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.556 1.16 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 29' ' ' CYS . 35.7 m -156.01 -156.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 10.4 m -89.61 165.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.612 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 25.8 t80 -150.69 80.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.9 t70 -98.04 96.89 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.61 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -93.28 38.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 1.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -77.81 -15.15 59.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.761 ' CG1' HG13 ' A' ' 43' ' ' VAL . 22.9 t -133.38 110.25 12.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.172 . . . . 1.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 5.01 4.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 1.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.62 4.11 27.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.484 1.115 . . . . 1.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.761 HG13 ' CG1' ' A' ' 40' ' ' VAL . 4.4 m -137.24 171.38 8.64 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.573 0.808 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.98 122.19 7.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.408 1.741 . . . . 1.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 2.1 m0 -82.06 -41.44 20.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 107.975 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.976 ' SG ' HG21 ' A' ' 24' ' ' ILE . 22.8 m -85.75 108.56 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 1.0 108.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -149.47 -171.66 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 111.067 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.528 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -89.51 153.56 48.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 1.0 109.419 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.541 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.615 1.85 . . . . 1.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 50' ' ' LEU . 1.7 pp -132.04 55.43 18.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 1.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 -176.98 3.16 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.532 1.806 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.646 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -175.8 87.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.646 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 150.75 172.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.63 8.61 5.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 1.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -144.84 166.38 25.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 1.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 58.6 mt-10 -111.8 104.2 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.254 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.454 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 175.74 -24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 110.29 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.523 ' O ' ' CE2' ' A' ' 96' ' ' PHE . 91.2 m -82.26 4.15 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 1.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 7' ' ' ARG . 1.6 t -71.76 125.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.724 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 2.5 mtm -163.77 151.08 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -71.38 167.42 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.551 ' CG1' HG21 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -62.58 -19.9 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -93.45 -15.03 26.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.724 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -75.6 -52.77 9.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.511 ' CD ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -40.37 165.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 110.314 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -150.85 43.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.561 ' O ' ' O ' ' A' ' 66' ' ' LYS . 5.0 p30 40.68 100.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 5.7 t -127.31 60.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.5 -164.89 33.73 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -119.16 159.05 46.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 1.0 110.984 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 60.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.792 . . . . 1.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -169.83 -36.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.561 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.0 tt -40.01 160.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 1.0 109.276 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.519 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -107.7 179.16 0.92 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 1.0 109.96 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.98 -55.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 16.5 mt-10 -70.22 -17.85 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' ARG . 16.3 m-20 -87.59 -45.33 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 74' ' ' SER . 42.8 t -51.36 -62.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.405 1.065 . . . . 1.0 108.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.33 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -80.14 8.56 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 14.4 mmt180 -118.24 -51.55 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.746 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 15.3 m-20 143.0 110.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.39 1.056 . . . . 1.0 109.381 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.746 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 94.9 m 123.11 148.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 1.0 108.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.734 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 87.7 m -70.99 163.98 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 108.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.648 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 21.3 t80 -140.28 103.28 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 42.4 t -134.12 95.29 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.591 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -79.45 -4.06 49.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.765 HG23 HD12 ' A' ' 89' ' ' ILE . 7.0 t -30.67 -38.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.765 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -113.04 106.93 54.7 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.07 139.83 24.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 1.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.6 OUTLIER 90.86 32.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 1.0 110.337 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 89' ' ' ILE . 1.3 m -153.31 175.43 3.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 96.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.9 m0 -62.77 -34.82 78.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.734 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 90.0 m -95.5 101.43 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 1.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.635 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 5.0 p90 -115.76 -170.75 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 1.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.634 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 64.5 m-85 -104.24 130.95 22.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.2 Cg_endo -75.01 156.91 42.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 1.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 158.03 -169.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.52 174.28 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 1.0 109.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.7 OUTLIER -130.64 -98.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 101' ' ' VAL . 12.8 tt0 91.0 20.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -117.42 -13.73 10.36 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.2 m -87.72 135.93 33.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 1.0 108.246 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 1.005 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 4.0 p80 -91.83 176.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.569 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.859 ' HD1' ' CE1' ' A' ' 30' ' ' PHE . 46.9 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 4' ' ' ALA . 3.1 mttt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.586 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 18.5 Cg_endo -74.93 23.08 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 1.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.78 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 76.37 139.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.859 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . . . -89.47 -5.83 56.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 83.2 m -76.09 2.14 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 1.0 108.299 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.783 ' HB3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -129.76 24.85 5.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.212 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -136.39 -46.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 1.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 p -95.28 -1.4 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 1.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -113.41 -16.14 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.305 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -61.53 -158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 2.4 t70 -85.02 145.51 43.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 1.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.99 81.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 93.07 104.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 1.0 109.378 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.924 ' O ' HG23 ' A' ' 17' ' ' VAL . 4.1 m-20 -112.24 -0.23 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.257 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 ttp-105 52.86 28.75 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 1.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 15' ' ' ASN . 38.5 t -124.0 155.09 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 20.7 t-20 -132.74 156.04 47.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 18' ' ' ASN . 8.3 t -140.08 67.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 1.0 108.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.16 -152.37 22.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.681 ' O ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -125.98 168.18 14.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 1.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -0.82 10.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.8 14.63 11.44 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.529 1.143 . . . . 1.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 21' ' ' PHE . 17.6 tt -72.19 164.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 1.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' ' C ' ' A' ' 26' ' ' SER . 81.9 p -128.68 127.65 42.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 1.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.637 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p -16.14 -70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.044 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -38.85 -67.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 25' ' ' THR . 21.9 mm-40 -53.66 -28.96 36.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 1.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 34' ' ' CYS . 6.9 t -90.69 3.49 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.347 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -138.94 31.67 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 32' ' ' SER . 87.2 m -133.33 -109.78 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 31' ' ' THR . 18.9 m -96.33 31.81 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 1.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.13 -90.33 1.39 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.455 1.097 . . . . 1.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 29' ' ' CYS . 8.4 m -155.47 -155.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 5.9 m -95.23 162.47 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 108.359 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.648 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 17.6 t80 -144.1 79.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 22.9 t70 -99.15 93.01 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -82.7 -8.51 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.424 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.4 mt-30 -54.66 -14.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 ' OD2' ' A' ' 37' ' ' ASP . 54.7 t -111.56 93.42 19.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.4 Cg_endo -74.97 138.27 22.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 1.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.43 -29.82 11.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.483 HG13 HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -102.45 175.69 2.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 0.723 . . . . 1.0 109.261 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.0 122.32 7.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.568 1.825 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 13.6 m0 -77.16 -44.47 30.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 24' ' ' ILE . 62.8 m -88.74 103.91 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 1.0 108.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -135.22 -175.7 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -94.78 129.96 34.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.499 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -74.94 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 1.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.935 ' O ' HG13 ' A' ' 59' ' ' VAL . 1.1 pp -136.8 60.23 28.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.09 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 1.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 58' ' ' CYS . . . -142.76 -153.27 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.486 ' O ' ' O ' ' A' ' 52' ' ' ALA . 77.1 mm-40 -50.91 -169.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.254 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -48.34 -17.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.572 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -54.13 -162.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 110.076 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 59' ' ' VAL . 17.0 tt0 -153.12 -43.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.38 20.69 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.0 110.281 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 55.7 m -87.56 -4.96 58.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 1.0 108.263 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 50' ' ' LEU . 1.3 t -63.59 124.08 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.642 ' HE3' ' CD2' ' A' ' 96' ' ' PHE . 3.6 mtm -164.74 128.92 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' SER . 7.3 mt-30 -68.55 162.83 24.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 62' ' ' VAL . 11.6 p -62.4 82.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 1.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 p 158.16 -24.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -83.08 -18.74 38.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -50.4 179.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tttm -131.21 -21.62 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 86.42 84.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 1.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.8 t -122.81 -168.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 108.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.68 -173.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 1.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -132.33 168.61 16.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 1.0 111.038 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 60.37 5.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 1.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.1 -39.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.451 1.095 . . . . 1.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.589 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.3 tt -47.03 162.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 1.0 109.399 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -107.11 -178.75 0.62 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 1.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.646 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -75.03 -71.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.426 1.751 . . . . 1.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 35.2 mt-10 -59.83 -12.81 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.1 m-20 -90.04 -53.11 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.533 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 53.4 t -47.0 -57.26 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 1.0 108.26 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -87.38 19.57 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 77' ' ' ASP . 13.4 mmm180 -130.65 -47.03 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.679 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.9 p30 150.84 117.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 1.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.679 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 61.3 m 104.95 152.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 1.0 108.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.732 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.3 m -76.84 166.61 23.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 108.356 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 18.7 t80 -142.28 106.14 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.504 1.128 . . . . 1.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 t -137.31 88.84 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.0 110.049 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.597 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -73.57 -2.87 24.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.787 HG23 HD12 ' A' ' 89' ' ' ILE . 6.8 t -32.39 -37.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.787 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -114.37 108.92 49.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 1.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 144.31 29.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 1.0 110.979 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER 86.22 33.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 89' ' ' ILE . 1.3 m -153.45 172.98 5.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.597 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 32.7 m0 -56.69 -35.09 68.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 1.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.732 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 63.4 m -93.41 98.86 11.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 11.4 p90 -116.32 -169.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 31.9 m-85 -107.73 145.9 32.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.79 39.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 1.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.405 ' SD ' ' SD ' ' A' ' 60' ' ' MET . 20.6 ptm -145.84 163.19 35.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 1.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.8 79.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.577 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -52.79 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.577 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 90.9 56.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 110.257 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -177.02 37.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 1.5 m -96.73 -69.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.685 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 2.7 p80 51.04 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 1.0 109.542 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.859 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 53.5 m-85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 1.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.624 ' HB3' ' OH ' ' A' ' 106' ' ' TYR . 2.8 mttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.641 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.96 -55.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 1.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.957 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . . . 167.4 112.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.228 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 104' ' ' CYS . . . -56.27 -12.95 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 104' ' ' CYS . 1.7 m -61.37 -54.6 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 108.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.957 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -84.93 42.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 1.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 2.8 m -146.28 -46.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.476 ' OG ' ' C ' ' A' ' 104' ' ' CYS . 28.7 p -105.9 65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' GLN . 2.6 tpp180 177.54 -31.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.354 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.672 ' O ' ' O ' ' A' ' 10' ' ' ARG . 13.8 tt0 -29.92 -105.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.565 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 4.3 t70 -153.81 145.91 17.09 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.76 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.01 49.58 2.3 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.481 1.779 . . . . 1.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.76 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 14.8 ttpp 132.21 99.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 1.0 109.339 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.648 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -137.3 1.39 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 48.82 61.89 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 1.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.842 HG12 ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -128.82 42.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 109.232 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 44' ' ' PRO . 64.6 t30 -56.7 144.35 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 40.7 t -141.23 15.47 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 108.232 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . -152.77 -150.31 5.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.115 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -129.2 162.44 52.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 1.0 110.908 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.17 9.22 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 1.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.56 10.51 28.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.404 1.065 . . . . 1.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.047 HG21 ' SG ' ' A' ' 46' ' ' CYS . 1.9 tt -67.96 -176.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 1.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 33.5 p -137.16 28.57 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 110.474 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.611 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . 24.4 p 65.82 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.492 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -41.85 -66.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -49.7 -22.26 1.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -86.88 -34.71 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 4.7 m-85 -82.25 33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 32' ' ' SER . 86.6 m -75.64 18.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 1.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 80.16 0.27 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.86 -53.5 1.03 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 1.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' CYS . 47.5 m -121.25 168.63 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.3 m -116.45 164.93 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 26' ' ' SER . 17.9 t80 -150.62 120.84 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 1.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.637 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -122.08 -75.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.657 ' HG ' ' HE3' ' A' ' 45' ' ' TRP . 4.0 m 97.73 52.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -85.79 -16.39 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.528 ' CG1' HG13 ' A' ' 43' ' ' VAL . 29.1 t -125.39 116.34 25.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.12 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 1.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.59 -53.59 0.6 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 1.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.726 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.1 m -67.4 176.79 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.726 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.99 117.6 4.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.441 1.758 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.657 ' HE3' ' HG ' ' A' ' 38' ' ' SER . 36.9 m0 -78.38 -31.25 48.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 108.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 1.047 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.4 m -87.46 108.77 19.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 108.383 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -131.44 -162.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.842 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -91.42 150.56 41.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.702 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 57.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 1.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.702 ' C ' ' O ' ' A' ' 49' ' ' PRO . 6.9 tt -7.61 77.04 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.688 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 1.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 51' ' ' PRO . . . 173.74 124.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 85' ' ' PHE . 7.6 mm100 65.35 160.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.86 -3.26 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -94.45 173.25 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 1.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE2' ' NH1' ' A' ' 7' ' ' ARG . 3.0 mt-10 -121.28 4.49 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.12 -17.99 11.78 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.457 1.098 . . . . 1.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 37.8 m -83.94 5.75 24.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 1.0 108.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG11 ' HD2' ' A' ' 7' ' ' ARG . 1.4 t -75.19 121.44 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.984 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 3.1 ptp 177.75 156.74 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 1.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' SER . 8.2 mp0 -83.73 165.46 18.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.435 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 40.7 t -49.77 -22.79 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' GLN . 32.6 t -98.12 51.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.984 ' HB3' ' HG3' ' A' ' 60' ' ' MET . . . -148.91 -51.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.544 ' HG3' ' CG ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -38.82 159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 1.0 110.347 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -122.53 39.39 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 1.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 5.2 p-10 36.14 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 2.7 t -118.78 -179.92 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.175 . . . . 1.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.13 -166.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.423 1.077 . . . . 1.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.684 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -129.75 166.7 24.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 1.0 111.066 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.7 7.42 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.458 1.767 . . . . 1.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.7 -9.82 34.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 1.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 70' ' ' TYR . 8.1 tt -80.03 162.35 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.744 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.72 -179.96 0.86 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 1.0 109.972 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.679 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.97 -74.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 1.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 11.8 mt-10 -56.53 -14.56 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 81' ' ' ARG . 4.1 m-20 -89.12 -51.17 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.501 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 50.4 t -46.5 -57.5 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 1.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.38 97.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -87.4 20.11 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.248 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 77' ' ' ASP . 40.3 mmt-85 -131.79 -48.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.692 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.7 p30 150.4 114.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.692 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.0 m 108.13 148.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 1.0 108.367 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.709 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 88.0 m -72.86 170.48 14.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 1.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.679 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.8 t80 -143.57 106.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.5 t -134.07 86.36 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.64 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -75.4 0.28 17.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.897 HG23 HD12 ' A' ' 89' ' ' ILE . 7.6 t -30.22 -38.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 1.0 110.37 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.897 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -121.16 133.67 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.95 149.06 36.38 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.469 1.773 . . . . 1.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.6 mt-10 87.61 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 89' ' ' ILE . 14.7 m -38.93 162.68 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.493 ' CB ' ' HA ' ' A' ' 67' ' ' ASN . 18.4 Cg_endo -74.95 90.38 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.558 1.82 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.64 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -48.81 -42.12 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 1.0 108.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.709 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.8 m -94.2 113.65 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.704 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 4.1 p90 -127.87 -170.65 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.633 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 93.4 m-85 -105.18 129.76 24.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.421 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.02 107.57 2.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.47 1.774 . . . . 1.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 ptm 169.98 -172.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.698 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 78.12 114.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.789 HG12 ' SG ' ' A' ' 104' ' ' CYS . 0.7 OUTLIER -161.17 -104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.26 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' H ' HG23 ' A' ' 101' ' ' VAL . 7.5 tt0 38.77 29.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.247 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' ' CZ ' ' A' ' 10' ' ' ARG . 1.6 p-10 -169.53 31.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 1.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.796 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 89.1 m -98.46 -25.34 14.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 104' ' ' CYS . 0.6 OUTLIER -30.97 148.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 1.0 109.618 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.794 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 56.1 m-85 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 1.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ALA . 10.3 mttt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.632 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.07 30.56 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.664 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 78.77 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 1.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . . . -97.79 -5.96 33.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' HG11 ' A' ' 101' ' ' VAL . 74.4 m -77.83 -4.11 44.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 108.322 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.664 ' NE ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -121.29 30.96 6.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 110.326 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 1.5 m -138.68 -51.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.419 ' HB3' ' CD2' ' A' ' 105' ' ' HIS . 77.1 p -90.57 -2.31 57.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 110.003 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -109.87 -3.36 16.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 110.255 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.621 ' OE1' ' CD1' ' A' ' 47' ' ' PHE . 4.1 mt-30 -60.74 -134.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 2.7 t70 -126.63 146.69 57.82 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 1.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.631 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.03 81.6 2.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.599 1.842 . . . . 1.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.631 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 98.59 100.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -137.64 -45.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER 88.57 -157.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 18' ' ' ASN . 8.8 t 74.11 42.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 17' ' ' VAL . 4.4 t-20 -31.02 143.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 3.3 t -128.33 44.1 3.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 1.0 108.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.27 -124.41 0.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 1.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HG13 ' A' ' 24' ' ' ILE . 53.0 p90 -174.73 162.99 2.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 1.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 108.59 2.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.58 -1.06 11.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 1.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.972 HG21 ' SG ' ' A' ' 46' ' ' CYS . 6.3 tt -53.76 165.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.771 ' O ' ' N ' ' A' ' 27' ' ' ASP . 8.7 p -135.99 68.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.778 ' O ' ' N ' ' A' ' 29' ' ' CYS . 91.4 p 41.23 -78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.034 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 25' ' ' THR . 11.2 t0 -29.69 -70.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.37 -26.35 12.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 1.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.778 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.7 t -96.25 4.94 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -138.6 30.34 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.596 HG22 ' N ' ' A' ' 32' ' ' SER . 18.8 m -129.62 -108.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.596 ' N ' HG22 ' A' ' 31' ' ' THR . 1.1 p -94.76 31.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.03 -96.5 1.71 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.464 1.103 . . . . 1.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.596 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.3 m -151.83 -156.47 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 49' ' ' PRO . 1.6 m -90.83 166.81 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.398 1.061 . . . . 1.0 108.231 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 29.9 t80 -149.37 80.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 23.5 t70 -99.6 98.17 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.702 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 29.8 t -89.97 -8.26 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 1.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.532 ' NE2' ' NE2' ' A' ' 105' ' ' HIS . 3.5 mt-30 -49.53 -17.07 0.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.473 HG12 HG13 ' A' ' 43' ' ' VAL . 85.0 t -110.09 99.76 40.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 139.36 24.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 1.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.45 -34.25 5.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 1.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 HG12 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -95.98 171.49 6.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 1.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 Cg_endo -74.97 120.19 5.97 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.527 1.804 . . . . 1.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.702 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 12.8 m0 -73.97 -44.17 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.972 ' SG ' HG21 ' A' ' 24' ' ' ILE . 49.7 m -86.94 112.53 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.621 ' CD1' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -146.97 -177.44 5.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 1.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.547 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -85.75 133.98 40.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.549 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.5 Cg_endo -74.96 -175.58 2.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 1.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 6.8 mt -135.16 60.85 42.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 -170.37 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.483 1.78 . . . . 1.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.796 ' HB3' ' HB2' ' A' ' 58' ' ' CYS . . . -171.83 -160.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 109.353 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 55' ' ' SER . 25.7 mm100 -28.99 147.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.39 61.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.628 ' N ' ' O ' ' A' ' 53' ' ' GLN . 66.8 m -163.29 107.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 1.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE2' HG21 ' A' ' 101' ' ' VAL . 1.4 tm-20 -58.46 96.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 1.5 pt-20 172.33 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 1.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.796 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 62.6 m -80.59 -37.41 31.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 108.26 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 58' ' ' CYS . 1.1 t -23.95 123.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.606 ' HE1' ' CD2' ' A' ' 96' ' ' PHE . 5.7 ptp 179.65 167.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 4.9 mt-30 -85.57 166.23 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.836 HG11 HG21 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -65.15 -9.57 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -109.76 -1.41 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB3' ' CG ' ' A' ' 60' ' ' MET . . . -83.96 -21.74 31.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 1.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' HG2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -74.06 163.53 27.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HG2' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -143.98 14.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 4.0 t-20 59.8 125.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.03 -43.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 108.247 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.72 -152.58 27.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 1.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.656 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -130.76 169.46 13.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 1.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.02 6.3 3.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 1.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.08 -34.62 4.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.576 1.172 . . . . 1.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.661 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.4 tt -54.71 163.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.561 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -103.57 -178.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 1.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.98 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -71.15 -35.85 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 110.259 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 81' ' ' ARG . 84.0 m-20 -65.31 -49.14 70.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 1.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 52.2 t -53.27 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.8 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.274 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -76.89 -0.72 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.7 mmt-85 -101.84 -52.33 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 110.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.745 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER 148.66 113.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 1.0 109.274 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.745 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.2 m 118.23 164.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 108.394 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.738 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 84.5 m -82.21 163.1 22.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 108.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.656 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 34.6 t80 -142.94 94.45 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -124.43 94.91 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.6 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.0 p-10 -84.08 -4.07 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.939 HG23 HD12 ' A' ' 89' ' ' ILE . 9.2 t -32.17 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -116.13 106.51 49.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.646 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 141.56 26.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.646 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 95.64 25.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -149.29 172.97 4.61 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 1.0 109.374 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -74.94 101.29 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.522 1.801 . . . . 1.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.6 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -70.73 -40.84 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.664 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 87.9 m -88.56 94.42 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 108.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.738 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 25.7 p90 -119.24 166.92 12.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 68' ' ' CYS . 6.7 m-85 -81.85 143.03 49.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 1.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 97' ' ' PHE . 18.1 Cg_endo -75.03 106.66 2.32 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.56 1.821 . . . . 1.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.2 mmt -63.88 -94.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.27 -178.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.502 HG23 ' H ' ' A' ' 102' ' ' GLU . 3.1 m -137.38 -111.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 1.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.502 ' H ' HG23 ' A' ' 101' ' ' VAL . 3.9 tt0 51.75 40.37 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 1.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -169.6 29.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' ALA . 1.2 m -102.49 156.5 17.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 108.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 1.4 p-80 -164.05 161.3 22.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 1.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.968 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 16.7 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 1.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.636 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . . . -70.52 -144.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -122.07 -37.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 m -68.18 -10.37 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 1.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.886 ' HD3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -86.23 7.2 26.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 10' ' ' ARG . 1.6 m -136.18 -56.93 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 1.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' A' ' 9' ' ' SER . 5.9 p -51.58 86.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 1.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 72.89 26.14 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.256 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.614 ' NE2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -29.25 -65.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 2.9 t70 -118.17 146.29 38.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.05 61.84 5.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.443 1.759 . . . . 1.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 83.83 101.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 17' ' ' VAL . 5.2 m-20 -114.07 -26.89 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.1 7.03 5.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 1.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' NZ ' ' A' ' 48' ' ' LYS . 26.6 t -97.43 142.78 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 20' ' ' GLY . 4.1 t-20 -122.31 149.97 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 t -130.39 47.22 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . 174.07 -144.8 7.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.62 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -134.84 162.41 57.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 1.0 111.006 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.73 8.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.19 10.13 24.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.107 . . . . 1.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.017 HG21 ' SG ' ' A' ' 46' ' ' CYS . 5.4 tt -68.2 171.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASP . 16.1 p -128.82 35.09 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.633 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 24.7 p 65.36 -70.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 1.0 109.94 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 26' ' ' SER . 13.6 m-20 -39.83 -69.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -45.41 -25.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 110.265 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -84.83 -45.08 12.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 1.0 108.328 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.636 ' HE2' ' CZ ' ' A' ' 106' ' ' TYR . 4.8 m-85 -69.45 -8.15 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.01 -9.66 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -99.43 15.75 25.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.56 6.91 72.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 1.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' CYS . 38.0 m -112.39 159.54 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -98.14 175.33 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.694 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 17.9 t80 -150.89 83.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 1.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 9.1 t70 -101.77 89.99 3.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.598 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -77.65 -11.8 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 7.2 mt-30 -49.26 -18.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.642 ' CG1' HG22 ' A' ' 43' ' ' VAL . 59.6 t -113.56 90.45 17.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -74.98 3.46 5.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 1.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.2 3.18 37.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.573 1.171 . . . . 1.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.643 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.3 m -146.5 -176.33 0.54 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.643 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 120.84 6.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 1.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.598 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 4.5 m0 -67.65 -52.93 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 107.977 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 1.017 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.5 m -89.25 113.16 24.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CD1' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -141.58 -170.4 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' NZ ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.64 126.7 36.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.522 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 -171.72 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -129.85 59.68 46.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 154.59 42.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -147.49 -174.0 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 1.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 55' ' ' SER . 3.7 mt-30 -37.3 158.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.88 59.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 1.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' GLN . 19.0 m -129.24 62.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 98.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 5.2 pt-20 -178.75 -35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.799 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.8 m -82.5 -104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.886 HG11 ' HD3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER 34.93 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.735 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.6 ptp 178.49 153.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -64.28 166.69 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 1.0 110.358 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.552 HG11 HG11 ' A' ' 92' ' ' VAL . 33.1 t -58.48 -35.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.16 16.19 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -115.67 -10.36 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -91.2 12.07 21.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 1.0 110.239 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ARG . 1.2 mttt 28.55 -107.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -178.61 89.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 1.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.605 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 26.3 t -97.46 -80.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 108.331 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -47.88 179.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.63 ' CE1' ' HB ' ' A' ' 73' ' ' ILE . 14.7 p90 -120.74 169.31 9.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 1.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -74.95 79.3 2.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 1.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.553 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 167.24 -28.19 0.17 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 1.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.63 ' HB ' ' CE1' ' A' ' 70' ' ' TYR . 14.3 tt -59.72 160.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 0.749 . . . . 1.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.604 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -111.52 -176.65 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.641 ' HA ' ' CG ' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.93 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.56 1.821 . . . . 1.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.3 mt-10 -61.09 -11.11 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 1.0 110.217 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.533 ' HB3' ' CD ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.0 -54.67 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 1.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 74' ' ' SER . 4.3 t -43.0 -56.14 3.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.082 . . . . 1.0 108.327 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -90.36 25.35 2.26 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -147.61 -50.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.713 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.5 p30 146.91 118.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 1.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.713 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.6 m 110.28 147.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 108.373 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.861 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 5.5 m -78.79 169.94 17.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 1.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.641 ' CG ' ' HA ' ' A' ' 75' ' ' PRO . 10.5 t80 -145.33 101.6 3.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 88' ' ' THR . 31.3 t -131.81 87.46 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 110.018 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.6 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -76.07 -2.41 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.784 HG23 HD12 ' A' ' 89' ' ' ILE . 8.4 t -32.17 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.784 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -115.3 107.82 48.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 1.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.6 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.99 137.69 22.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.774 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 1.6 pt-20 93.42 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 1.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.1 m -153.72 178.01 1.76 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -75.02 95.6 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 1.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.6 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.0 m0 -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 1.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.861 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 18.3 m -99.16 127.59 45.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.735 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 1.0 OUTLIER -134.52 -166.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.605 ' CD1' ' SG ' ' A' ' 68' ' ' CYS . 41.3 m-85 -103.22 113.49 65.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 1.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.6 Cg_endo -74.95 107.08 2.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 162.09 -176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 110.947 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.574 ' O ' HG13 ' A' ' 101' ' ' VAL . 3.2 p 67.51 110.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 100' ' ' SER . 5.8 m -156.39 -117.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.477 ' H ' HG23 ' A' ' 101' ' ' VAL . 22.6 tt0 33.49 80.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 20.9 p-10 169.01 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 10.2 m -73.85 142.61 46.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.521 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 11.7 p-80 -166.7 -148.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.655 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.636 ' CZ ' ' HE2' ' A' ' 30' ' ' PHE . 10.4 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 1.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.687 ' NZ ' ' CE2' ' A' ' 106' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -61.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.436 1.756 . . . . 1.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 3' ' ' PRO . . . 162.36 110.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 109.232 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.615 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . . . -53.38 -22.95 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.766 ' SG ' HG12 ' A' ' 101' ' ' VAL . 58.0 m -53.25 -56.98 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 1.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.832 ' HE ' HG13 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -89.37 44.19 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.483 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 33.6 m -149.82 -46.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -83.14 44.28 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 61' ' ' GLN . 5.8 ttt180 177.12 28.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.701 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -51.57 -88.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 110.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.567 ' CB ' ' ND2' ' A' ' 15' ' ' ASN . 6.3 t0 -153.69 144.72 16.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.5 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.628 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.5 mtpp 153.86 104.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.567 ' ND2' ' CB ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -128.84 -39.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.44 0.58 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.5 t -103.62 138.6 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 2.5 p30 -138.93 156.96 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 1.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 35.8 t -118.93 38.96 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 1.0 108.283 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.47 -147.22 6.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 1.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -130.07 162.75 52.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.806 . . . . 1.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 1.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.87 8.1 23.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.988 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.5 tt -62.69 169.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.1 p -118.18 25.53 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 110.46 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.692 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 21.7 p 66.34 -69.0 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' OG ' ' A' ' 26' ' ' SER . 26.2 m-20 -41.33 -66.34 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -48.31 -23.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.535 ' SG ' HD13 ' A' ' 24' ' ' ILE . 1.8 t -84.68 -38.61 19.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.0 108.376 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 7.8 m-85 -71.8 -17.46 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.96 -5.69 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 1.0 110.347 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -96.4 20.9 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.069 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.54 6.11 53.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m -115.09 177.79 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -118.32 172.11 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 108.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CB ' ' A' ' 26' ' ' SER . 19.4 t80 -147.67 98.05 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 1.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 14.4 t70 -120.18 92.32 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.702 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 48.1 t -84.68 -6.33 59.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 1.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -49.6 -17.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.0 110.231 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 43' ' ' VAL . 73.7 t -112.7 95.63 33.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.209 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 138.58 23.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 1.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.05 59.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 1.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -128.25 177.33 2.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 1.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.702 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 16.3 m0 -77.44 -49.49 14.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.031 -1.1 . . . . 1.0 108.031 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.988 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.07 115.2 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 1.0 108.281 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.701 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -136.68 -166.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.666 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.62 117.28 51.1 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.459 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.0 Cg_endo -75.09 -177.59 3.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.483 1.78 . . . . 1.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.996 HD21 ' OE1' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -125.61 69.56 63.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 1.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.596 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.03 141.0 26.02 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 1.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -119.26 -177.0 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' ALA . 8.5 mt-30 -39.6 164.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 1.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -59.94 -6.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 53' ' ' GLN . 35.4 m -53.41 -38.17 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 1.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 45.27 52.03 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 1.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.33 -32.14 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 1.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 59' ' ' VAL . 88.3 m -83.64 -94.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.832 HG13 ' HE ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER 51.54 121.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.723 ' HG2' ' HB1' ' A' ' 64' ' ' ALA . 1.1 mtm 158.18 138.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.996 ' OE1' HD21 ' A' ' 50' ' ' LEU . 6.4 mm-40 -85.81 166.84 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 1.0 110.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 89' ' ' ILE . 20.6 m -56.89 -16.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.67 10.57 40.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 1.0 110.029 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.723 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -114.09 -29.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.524 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.79 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -156.23 -68.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.5 t-20 149.93 108.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 2.3 t -122.21 -75.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 108.315 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -57.46 -170.27 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 1.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD1' ' HB ' ' A' ' 73' ' ' ILE . 6.8 p90 -124.06 165.54 23.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 1.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 86.16 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 1.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.495 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 157.42 -23.81 0.44 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.73 HG21 ' SG ' ' A' ' 95' ' ' CYS . 5.1 tt -54.21 175.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.754 . . . . 1.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -122.21 179.91 0.9 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.95 -57.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 1.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -76.07 -12.38 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 1.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -90.29 -48.35 7.2 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.522 ' HA ' HD11 ' A' ' 73' ' ' ILE . 54.1 t -52.43 -62.04 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.02 76.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 1.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -80.5 8.42 7.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.642 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.4 mmm180 -114.33 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 1.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.735 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER 144.13 113.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.735 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.1 m 117.19 153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 30.8 m -72.05 164.03 26.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 1.0 108.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 36.7 t80 -141.15 99.35 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.3 t -121.4 94.88 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 110.03 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.645 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.1 p-10 -90.26 -4.12 57.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 1.008 HG23 HD12 ' A' ' 89' ' ' ILE . 9.0 t -33.92 -34.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 1.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.008 HD12 HG23 ' A' ' 88' ' ' THR . 0.8 OUTLIER -119.48 111.36 36.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.93 138.65 23.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.418 1.747 . . . . 1.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.1 mt-10 93.93 34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 89' ' ' ILE . 2.1 m -152.95 172.24 5.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.97 89.72 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 1.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.645 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 38.1 m0 -59.86 -38.62 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 1.0 108.021 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.73 ' SG ' HG21 ' A' ' 73' ' ' ILE . 88.1 m -93.8 103.31 15.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.654 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 7.8 p90 -121.01 -170.63 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 74.9 m-85 -95.94 158.1 34.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 1.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' MET . 18.4 Cg_endo -74.99 -9.6 20.86 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.479 1.779 . . . . 1.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PRO . 0.2 OUTLIER 37.31 -150.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 101' ' ' VAL . 7.0 t -142.29 177.17 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.766 HG12 ' SG ' ' A' ' 6' ' ' CYS . 5.0 m -111.74 -116.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 17.4 pt-20 33.98 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 1.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER 153.95 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 6.3 m -55.81 -80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.574 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 2.4 p80 54.52 154.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.687 ' CE2' ' NZ ' ' A' ' 2' ' ' LYS . 99.1 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' OH ' ' A' ' 106' ' ' TYR . 2.2 tmtm? . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.4 Cg_endo -74.99 -154.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.64 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . -97.65 -137.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.379 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 104' ' ' CYS . . . -133.95 -44.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -47.89 -34.93 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 108.362 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.733 ' CZ ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.01 27.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 110.35 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.9 m -149.79 -50.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 p -88.72 22.24 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 1.0 110.063 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -157.59 24.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 1.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.517 ' OE1' ' CG ' ' A' ' 47' ' ' PHE . 4.5 mt-30 -60.81 -141.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.537 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 3.5 t70 -99.06 147.01 32.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -75.01 68.12 5.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mttt 80.39 101.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.3 m-20 -123.36 -26.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 89.57 27.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.0 110.315 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.546 HG23 ' HB3' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -103.22 133.89 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 5.9 p30 -129.36 147.87 51.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -139.57 43.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.41 -141.67 3.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CE2' HD12 ' A' ' 24' ' ' ILE . 54.3 p90 -137.85 159.65 67.87 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.52 2.94 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 1.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.9 3.66 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.075 . . . . 1.0 111.036 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.673 HG21 ' SG ' ' A' ' 46' ' ' CYS . 10.0 tt -61.8 166.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 1.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.613 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 11.6 p -107.3 -52.92 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 1.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 2.8 p 156.12 -67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.37 -56.16 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -54.38 -25.97 27.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -83.78 -31.94 25.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 3.4 m-85 -81.1 -10.41 59.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -104.2 -9.99 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.73 7.88 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 1.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.9 14.79 80.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 1.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 73.3 m -115.25 -177.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -120.2 174.82 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 1.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 25' ' ' THR . 2.5 t80 -150.46 136.06 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.67 ' OD2' ' HB2' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -129.06 -77.44 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.824 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 32.9 t 79.34 -18.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 1.0 109.962 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.67 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 7.1 mt-30 -44.17 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 1.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 HG22 ' A' ' 43' ' ' VAL . 71.5 t -116.07 125.74 28.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.32 32.75 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 1.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 81.77 -68.28 3.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 1.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.558 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 2.6 m -45.04 169.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.04 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.591 1.837 . . . . 1.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.824 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 27.2 m0 -68.55 -50.24 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.673 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.61 129.33 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 1.0 108.276 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CG ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -147.32 -166.98 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -108.99 139.42 20.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.241 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.666 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.97 173.64 14.15 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 1.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 pp -122.29 59.94 12.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.1 Cg_endo -75.04 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.455 1.766 . . . . 1.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.37 131.07 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 63.45 166.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 110.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -4.73 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.64 161.21 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 95.2 mt-10 -133.23 101.73 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 3.7 pt-20 170.04 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.4 m -81.72 3.95 23.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.733 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 1.7 t -75.53 131.25 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.8 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 6.4 ptp 176.29 156.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 1.2 mt-30 -79.84 166.5 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.807 HG12 HG11 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -53.08 -19.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 1.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -100.66 48.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.8 ' HB3' ' HG3' ' A' ' 60' ' ' MET . . . -148.62 -38.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.674 ' NH1' HG12 ' A' ' 62' ' ' VAL . 5.3 ptt180 -48.27 -172.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 1.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 11.3 mtpp -143.57 -91.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 2.4 m-80 156.67 89.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 25.1 t -110.24 -94.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . -38.86 168.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.554 1.159 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -110.1 172.99 3.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 1.0 111.007 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.5 Cg_endo -74.98 49.01 2.13 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.454 1.765 . . . . 1.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.25 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.647 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.2 tt -44.97 161.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 0.765 . . . . 1.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -105.65 -177.34 0.49 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.635 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.03 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.1 mt-10 -61.1 -12.28 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 1.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.724 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -89.7 -53.09 4.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 1.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.563 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 43.3 t -48.09 -59.74 3.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.33 83.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 1.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -84.77 9.57 13.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 1.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -114.84 -45.9 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.711 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 7.9 p30 147.69 114.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 84.4 m 108.97 157.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.79 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 73.4 m -78.56 162.06 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 32.6 t80 -139.76 100.7 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.743 ' OG ' HG22 ' A' ' 88' ' ' THR . 41.0 t -128.34 85.0 2.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 1.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.742 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 6.1 p-10 -70.43 -13.35 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.378 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.743 HG22 ' OG ' ' A' ' 86' ' ' SER . 8.8 t -34.97 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.825 ' O ' HG22 ' A' ' 92' ' ' VAL . 3.4 mm -108.21 99.66 32.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.722 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.92 126.36 9.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 1.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.722 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 6.5 pt-20 109.68 15.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 89' ' ' ILE . 4.4 m -137.57 167.63 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 1.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.742 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 23.7 m0 -48.04 -37.76 15.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 107.988 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.79 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 99.0 m -91.23 88.37 6.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.383 1.052 . . . . 1.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.671 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 9.0 p90 -112.29 173.64 6.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 1.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 68' ' ' CYS . 72.1 m-85 -96.38 123.24 55.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 1.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.483 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.03 107.9 2.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 1.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.55 ' O ' ' CB ' ' A' ' 100' ' ' SER . 1.4 tmt? 171.76 144.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.2 m 155.6 158.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 1.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -30.44 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.7 ' H ' HG23 ' A' ' 101' ' ' VAL . 1.1 pt-20 93.55 23.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.368 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' CYS . 7.6 m-20 -61.57 -4.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.739 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.9 m -37.95 141.29 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 108.264 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.619 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 4.9 p-80 -139.4 -147.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 105' ' ' HIS . 8.4 m-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 8.9 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.719 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.05 -40.85 0.76 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 1.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.761 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . 159.74 -34.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.867 ' HA ' ' CE1' ' A' ' 106' ' ' TYR . . . 92.27 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 1.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 96.0 m -61.11 -15.55 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.666 ' CG ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -114.7 39.64 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.928 ' HB2' ' HE1' ' A' ' 106' ' ' TYR . 4.2 m -150.27 -61.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' ' 104' ' ' CYS . 86.1 p -66.49 -26.98 67.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 1.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -104.14 20.9 17.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 12.0 mm-40 -58.3 -108.29 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.493 1.12 . . . . 1.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' LYS . 9.5 t70 -152.28 145.92 17.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 1.0 109.381 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.6 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.483 1.78 . . . . 1.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.6 mttm 158.22 87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 4.4 m-20 -132.1 2.93 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.748 ' HG3' HG23 ' A' ' 17' ' ' VAL . 11.3 ptp180 43.48 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.748 HG23 ' HG3' ' A' ' 16' ' ' ARG . 4.8 t 85.29 132.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 1.0 109.346 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 15.3 p-10 -131.78 147.77 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 41.3 t -138.66 61.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.22 -135.41 1.92 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.466 1.104 . . . . 1.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.67 ' CE1' HD12 ' A' ' 24' ' ' ILE . 51.7 p90 -154.05 162.07 27.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 1.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 107.49 2.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.428 1.751 . . . . 1.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.5 5.11 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 1.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.67 HD12 ' CE1' ' A' ' 21' ' ' PHE . 5.9 tt -59.19 170.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.9 p -114.74 -55.28 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p 158.5 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 -58.58 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -52.86 -27.66 19.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 1.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.7 t -84.68 -30.22 24.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.868 ' CZ ' ' CD2' ' A' ' 106' ' ' TYR . 24.0 m-85 -89.09 0.18 56.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.407 1.067 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.2 m -106.18 -12.11 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -98.45 13.89 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.24 0.96 79.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -94.91 176.38 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 20.8 m -117.21 172.71 7.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 30.4 t80 -151.76 85.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.1 t70 -108.78 97.0 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.621 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 2.2 m -90.64 18.25 6.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.968 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.02 -14.72 17.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HG22 ' A' ' 43' ' ' VAL . 54.1 t -125.79 128.05 24.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.34 37.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 1.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 77.84 -69.12 2.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.443 1.089 . . . . 1.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.545 HG22 HG12 ' A' ' 40' ' ' VAL . 2.8 m -42.39 164.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -75.01 117.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 1.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 15.4 m0 -78.31 -44.72 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.647 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -88.43 111.82 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -142.14 -157.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.705 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.15 137.72 23.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 1.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.499 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.1 Cg_endo -75.04 -173.09 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 1.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' H ' ' HB3' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -132.21 64.52 72.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.02 143.58 29.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 1.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 51' ' ' PRO . . . 176.17 47.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 12.3 mt-30 -161.14 140.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.13 52.08 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 m -165.57 -161.79 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -155.54 66.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 1.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -177.19 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 1.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.6 m -83.8 5.55 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 108.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.666 HG11 ' CG ' ' A' ' 7' ' ' ARG . 1.9 t -86.7 134.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.674 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 3.7 ptt? 179.25 179.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.678 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -78.33 149.66 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.595 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -43.01 -58.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 p -49.56 -31.23 10.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -67.68 -9.4 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.595 ' CD ' ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -70.56 172.34 8.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 110.334 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -172.02 103.2 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 1.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 66' ' ' LYS . 14.9 p-10 -37.63 120.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 97' ' ' PHE . 42.4 t -127.87 -3.72 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 1.0 108.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 82' ' ' ASN . . . -155.94 -155.02 7.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 1.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.699 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -122.59 160.06 50.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.995 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.11 -4.1 56.62 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.516 1.135 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.599 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 1.1 tt -81.15 165.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 0.744 . . . . 1.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -94.26 175.66 2.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 1.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.631 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -91.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 1.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.3 mm-40 -41.91 -29.35 0.21 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 1.0 110.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 4.7 m-20 -72.72 -45.43 58.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.762 ' O ' ' N ' ' A' ' 82' ' ' ASN . 5.4 t -52.91 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 108.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -43.42 -35.38 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.067 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.568 ' O ' ' CG ' ' A' ' 81' ' ' ARG . . . -95.09 35.11 1.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.599 ' N ' ' O ' ' A' ' 78' ' ' CYS . 44.3 mtt-85 -168.94 -38.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.762 ' N ' ' O ' ' A' ' 78' ' ' CYS . 1.7 m-80 -117.5 -110.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 60.4 m -135.27 -161.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.0 m -49.54 146.79 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.631 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.4 t80 -127.93 94.18 3.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.569 ' OG ' HG22 ' A' ' 88' ' ' THR . 11.7 t -123.99 100.0 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 1.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.627 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 4.7 p-10 -85.93 -9.37 57.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.721 HG23 HD12 ' A' ' 89' ' ' ILE . 2.6 t -31.28 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 1.0 110.451 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.802 ' O ' HG22 ' A' ' 92' ' ' VAL . 1.1 mp -108.75 109.81 61.21 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.94 143.9 29.84 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.583 1.833 . . . . 1.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 12.4 mm-40 88.21 29.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 1.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 89' ' ' ILE . 3.1 m -145.6 166.13 18.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 80.91 2.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.42 1.748 . . . . 1.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.627 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.2 m0 -45.23 -37.4 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.558 ' SG ' HG21 ' A' ' 73' ' ' ILE . 87.1 m -90.9 83.48 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 1.0 108.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 38.9 p90 -114.16 158.93 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 68' ' ' CYS . 72.6 m-85 -68.62 150.61 97.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.76 19.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 1.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.472 ' SD ' ' CE ' ' A' ' 66' ' ' LYS . 6.0 tpt 45.59 -130.74 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t -137.14 156.7 48.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 1.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.494 HG23 ' H ' ' A' ' 102' ' ' GLU . 12.1 m -125.82 -119.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 101' ' ' VAL . 9.3 tt0 36.26 33.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 1.0 110.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.4 t0 -147.43 18.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.47 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 31.7 m -84.65 -82.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 1.0 108.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 106' ' ' TYR . 4.0 p-80 38.11 -153.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0 109.594 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.928 ' HE1' ' HB2' ' A' ' 8' ' ' CYS . 16.5 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mttt . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.98 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 1.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.802 ' HB3' ' CD ' ' A' ' 7' ' ' ARG . . . 172.12 132.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 109.242 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -62.14 -22.0 65.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 109.371 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 37.9 m -56.12 -21.36 21.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 1.0 108.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.872 ' HG2' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -122.57 36.0 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 3.1 m -149.85 -70.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.4 ' HA ' ' OD2' ' A' ' 37' ' ' ASP . 54.1 p -57.57 -27.43 62.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 30.93 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' A' ' 50' ' ' LEU . 2.0 tp-100 -71.07 -125.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.473 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 3.9 t0 -142.82 138.68 16.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 1.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 45.96 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 1.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 159.55 102.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -132.9 -43.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . 1.4 mpp_? 61.2 58.13 2.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 1.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.594 HG11 ' HE3' ' A' ' 48' ' ' LYS . 2.9 t -150.54 39.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.484 ' OD1' ' CB ' ' A' ' 44' ' ' PRO . 5.8 t30 -35.25 149.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 1.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.75 35.0 3.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 108.325 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.91 -145.68 4.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 1.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.756 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -126.9 162.89 44.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 1.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -0.95 10.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.01 11.83 29.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 1.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.959 HG21 ' SG ' ' A' ' 46' ' ' CYS . 2.4 tt -69.91 177.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.9 p -125.73 -56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 5.8 p 161.97 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 110.083 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.7 -57.68 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 1.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -53.68 -26.47 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 110.297 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -82.72 -37.05 25.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 1.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 1.222 ' CD1' ' CE2' ' A' ' 106' ' ' TYR . 13.0 m-85 -80.36 -1.09 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m -120.34 -6.31 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -95.05 12.77 27.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 1.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.76 12.5 84.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' CYS . 67.5 m -121.9 179.38 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -116.67 172.08 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 1.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 16.4 t80 -149.44 98.01 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 1.2 t70 -119.25 100.53 7.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 1.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.59 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 1.3 m -93.35 27.42 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -68.57 -13.37 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 1.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.579 HG12 HG22 ' A' ' 43' ' ' VAL . 48.2 t -126.79 126.79 24.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.6 27.89 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.93 -70.33 2.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 1.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 40' ' ' VAL . 3.0 m -43.21 164.4 0.13 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.484 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . 18.2 Cg_endo -74.97 117.86 5.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 1.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 11.6 m0 -77.52 -41.35 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.959 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.5 m -89.14 109.75 20.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 1.0 108.245 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -138.44 -164.56 1.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -105.07 134.32 19.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 1.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.489 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 173.99 13.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 1.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -125.21 68.38 57.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.489 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.03 168.28 25.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 1.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.4 132.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 1.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 53' ' ' GLN . 2.0 mp0 59.29 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 1.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -73.3 -3.62 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 1.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.15 133.66 40.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 56.7 mt-10 -120.51 80.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 9.3 pt-20 166.34 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' SD ' ' A' ' 60' ' ' MET . 79.4 m -84.84 9.96 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 108.318 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.872 HG11 ' HG2' ' A' ' 7' ' ' ARG . 1.2 t -90.37 137.29 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.211 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.674 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -179.23 176.58 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 1.0 111.089 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 3.1 mt-30 -76.68 158.9 30.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.706 ' CG1' HD13 ' A' ' 89' ' ' ILE . 17.2 m -55.04 -35.3 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -76.39 -21.8 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 1.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -70.86 -43.85 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.505 ' HG2' ' CG ' ' A' ' 60' ' ' MET . 0.3 OUTLIER -66.48 135.21 53.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 110.248 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' PRO . 0.3 OUTLIER -93.93 -107.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.49 93.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 8.7 t -123.56 67.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.03 -172.26 34.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -120.32 160.49 43.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 1.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.53 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.485 1.782 . . . . 1.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -162.73 -38.77 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 1.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.1 tt -39.67 159.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.38 179.21 1.0 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.901 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.6 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.99 -62.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 1.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.63 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 9.9 mt-10 -71.04 -8.61 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 4.1 m-20 -90.41 -52.85 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.611 ' HA ' HD11 ' A' ' 73' ' ' ILE . 14.1 t -52.66 -59.97 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 108.335 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -42.98 74.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 1.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.23 12.08 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.055 . . . . 1.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.613 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 5.0 mmt85 -120.33 -48.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 1.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER 145.79 114.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.723 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 113.45 150.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 108.28 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 72.9 m -71.45 165.16 24.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 20.5 t80 -142.69 104.55 4.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -127.57 84.73 2.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 110.065 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 88' ' ' THR . 17.8 p-10 -71.97 -4.76 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.0 109.298 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.615 HG23 HD12 ' A' ' 89' ' ' ILE . 3.6 t -22.96 -46.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 1.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.974 HG23 ' HD2' ' A' ' 90' ' ' PRO . 1.5 mp -114.13 150.86 44.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 1.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.974 ' HD2' HG23 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 1.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 1.042 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.0 pt-20 -47.91 75.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.042 HG13 ' O ' ' A' ' 91' ' ' GLU . 6.1 m -171.31 161.82 5.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 18.6 Cg_endo -74.97 84.8 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.8 m0 -48.25 -36.96 14.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 73' ' ' ILE . 94.8 m -101.93 126.04 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 6.7 p90 -139.52 -171.11 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 111.058 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 68' ' ' CYS . 78.9 m-85 -103.45 133.42 20.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.1 Cg_endo -75.03 169.11 23.32 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.557 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 85.5 -14.17 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 1.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.883 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -66.76 64.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.394 1.059 . . . . 1.0 109.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -171.44 -98.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 45.32 25.04 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' VAL . 0.9 OUTLIER -139.95 14.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -82.64 124.23 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 108.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.545 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 21.0 p-80 -144.36 173.7 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 109.644 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 1.222 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 3.8 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.568 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 1.1 mttt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.555 1.818 . . . . 1.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 1.185 ' CA ' ' OH ' ' A' ' 106' ' ' TYR . . . -175.32 -167.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -131.19 -24.35 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 74.5 m -73.68 -3.17 26.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 108.308 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.88 ' HG2' HG11 ' A' ' 59' ' ' VAL . 9.4 mtt85 -125.06 22.29 7.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.7 m -151.46 -41.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.332 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.78 -58.77 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 1.0 110.032 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -86.56 15.2 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.1 pt20 -60.77 -159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.325 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 3.4 t70 -82.89 146.03 51.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.07 80.99 2.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 1.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.617 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 97.9 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 1.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -132.69 3.99 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.37 -153.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 1.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.73 HG12 ' NZ ' ' A' ' 48' ' ' LYS . 2.6 t 65.86 132.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 1.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 23.9 t-20 -126.31 132.59 51.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 48' ' ' LYS . 52.5 t -129.24 65.52 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 108.363 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.06 -133.27 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.41 1.069 . . . . 1.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 52.8 p90 -166.95 163.0 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 1.0 110.997 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 107.18 2.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.99 4.24 10.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.437 1.086 . . . . 1.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.896 HG21 ' SG ' ' A' ' 46' ' ' CYS . 6.5 tt -59.03 166.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 1.0 109.238 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.5 p -128.93 39.89 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.609 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 25.1 p 63.77 -69.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 1.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.2 t70 -38.44 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -44.57 -23.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 1.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -88.34 -42.93 11.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 108.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' PHE . 7.5 m-85 -82.71 5.97 19.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.6 m -116.25 -12.61 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.36 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.2 p -100.27 7.23 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.32 14.32 66.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 1.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 m -109.96 160.5 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m -100.79 174.09 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 108.247 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 8.1 t80 -149.8 107.38 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.4 t70 -132.93 92.33 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.676 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 3.0 m -88.82 43.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.95 -13.1 59.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.799 ' CG1' HG13 ' A' ' 43' ' ' VAL . 13.2 t -135.47 111.91 10.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 109.218 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 1.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.423 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -115.45 4.37 21.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 1.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.799 HG13 ' CG1' ' A' ' 40' ' ' VAL . 4.0 m -137.79 169.78 12.15 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 0.727 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 121.71 6.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 1.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 3.7 m0 -77.18 -41.96 39.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.963 -1.125 . . . . 1.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.896 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -87.27 109.74 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 108.265 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CZ ' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -147.39 -153.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.73 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -121.29 154.57 58.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.513 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -75.06 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 1.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.898 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.37 71.04 24.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 1.0 109.231 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.01 -171.57 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 1.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.31 153.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 53.83 173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -10.07 25.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.84 174.84 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 110.052 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.515 ' O ' ' NH2' ' A' ' 7' ' ' ARG . 37.7 tp10 -124.69 -6.69 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.191 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -107.6 11.96 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -87.38 9.66 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 108.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 50' ' ' LEU . 1.6 t -76.92 126.2 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.604 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -170.93 119.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 63' ' ' SER . 2.3 mp0 -64.77 161.02 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.0 m -57.82 79.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.5 m 157.72 -25.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.579 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -82.63 -26.12 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 96' ' ' PHE . 19.3 mtt180 -68.51 110.8 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.582 ' HE2' ' CD2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -86.37 18.39 3.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 1.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 50.1 t30 57.67 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.647 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 44.8 t -159.63 162.43 35.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.19 -149.37 48.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.605 1.19 . . . . 1.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CE2' ' N ' ' A' ' 73' ' ' ILE . 34.6 p90 -123.18 162.97 36.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 79.87 2.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 1.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.11 -28.45 0.2 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.489 1.118 . . . . 1.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.559 ' N ' ' CE2' ' A' ' 70' ' ' TYR . 9.5 tt -44.81 161.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 1.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -113.42 -177.16 0.42 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 1.0 109.989 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 -73.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -47.54 -21.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.57 -35.08 14.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 74' ' ' SER . 3.6 t -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.81 88.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . . . -61.49 -16.65 49.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.597 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -98.15 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 110.36 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 81' ' ' ARG . 8.1 m-20 148.01 55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 82' ' ' ASN . 93.8 m -160.98 146.96 14.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 108.399 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.85 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 81.2 m -83.13 132.81 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 108.372 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.65 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 9.3 t80 -118.22 105.8 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.53 ' OG ' HG22 ' A' ' 88' ' ' THR . 35.4 t -131.07 78.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.605 ' HA ' ' CD1' ' A' ' 94' ' ' TRP . 1.4 p-10 -69.67 -5.75 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.849 HG23 HD12 ' A' ' 89' ' ' ILE . 10.7 t -36.12 -31.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.849 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -121.15 106.32 38.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.6 Cg_endo -74.95 143.99 29.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.8 mm-40 92.59 26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 1.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -152.03 171.34 6.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.94 103.47 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.605 ' CD1' ' HA ' ' A' ' 87' ' ' ASP . 36.5 m0 -69.3 -45.96 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.85 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 16.4 m -89.95 100.89 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 108.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 5.0 p90 -122.26 -171.07 2.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 1.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.647 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 45.6 m-85 -106.17 144.26 28.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 1.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.2 ttm -94.84 159.72 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.9 t -98.91 165.31 11.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 1.0 109.937 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.45 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 2.2 m -59.73 -111.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 14.0 pt-20 43.17 73.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 1.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.3 p30 153.83 -26.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.456 ' SG ' ' OD1' ' A' ' 103' ' ' ASP . 1.8 m -100.17 159.22 15.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 108.247 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.469 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 21.1 p80 -162.02 159.38 26.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.616 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 1.185 ' OH ' ' CA ' ' A' ' 4' ' ' ALA . 55.2 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 1.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 4.8 mttp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.798 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.95 165.2 31.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 1.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.744 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . . . -50.44 141.61 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 1.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -81.97 1.08 37.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.22 -2.56 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.01 ' HG2' HG11 ' A' ' 59' ' ' VAL . 2.2 mtp180 -119.97 -3.71 10.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 1.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.885 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.0 m -106.87 -37.4 6.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 1.0 108.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 8' ' ' CYS . 34.0 p -29.23 74.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.885 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.5 ttp-105 39.96 25.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 1.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 7.8 mp0 29.23 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 110.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.733 ' OD1' ' ND2' ' A' ' 15' ' ' ASN . 9.6 t70 -133.66 148.27 67.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.619 ' HD2' ' OD1' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -74.97 93.58 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 1.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.607 ' C ' ' ND2' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 95.21 68.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 1.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.733 ' ND2' ' OD1' ' A' ' 12' ' ' ASP . 6.1 m-80 -162.93 -40.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 1.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -40.04 115.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 1.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' O ' ' A' ' 18' ' ' ASN . 3.3 t -106.88 28.31 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.534 ' O ' ' O ' ' A' ' 17' ' ' VAL . 1.4 t-20 55.48 152.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 1.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 51.4 t -140.79 12.47 2.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.57 -140.36 3.3 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 24' ' ' ILE . 1.6 p90 -122.54 161.21 44.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 1.0 110.975 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 108.91 2.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 1.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.49 -15.29 8.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 21' ' ' PHE . 11.9 tt -41.82 159.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 0.797 . . . . 1.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 26' ' ' SER . 43.2 p -93.72 -104.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 1.0 110.357 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 61.7 p -149.47 -68.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 1.0 109.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -41.7 -61.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -51.3 -28.38 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 1.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' SER . 14.9 t -84.07 -37.09 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.861 ' CE1' ' HD2' ' A' ' 106' ' ' TYR . 7.7 m-85 -90.13 30.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 32' ' ' SER . 87.2 m -76.62 21.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER 78.54 0.96 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.957 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.81 -50.39 1.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.568 1.167 . . . . 1.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 37.5 m -130.45 175.83 8.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.5 m -112.64 164.34 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 108.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.573 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 40.3 t80 -144.67 103.88 3.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.673 ' OD1' ' C ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -98.4 -61.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.597 1.186 . . . . 1.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.665 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.2 72.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 1.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.0 mt-30 -131.53 -4.01 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.809 ' CG1' HG22 ' A' ' 43' ' ' VAL . 15.4 t -127.3 117.21 21.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 85.26 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.468 1.773 . . . . 1.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.58 -61.55 0.34 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.576 1.172 . . . . 1.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.809 HG22 ' CG1' ' A' ' 40' ' ' VAL . 29.2 m -63.24 169.91 3.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.453 0.737 . . . . 1.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.682 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.91 115.9 4.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.788 . . . . 1.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 30.9 m0 -68.03 -47.48 68.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 1.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 24' ' ' ILE . 2.5 m -87.51 106.47 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.648 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -126.78 -169.75 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.647 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -79.5 149.16 71.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.736 ' O ' ' N ' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.01 50.25 2.48 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD12 ' CG ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER 2.45 65.46 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.736 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.97 177.35 8.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 1.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -162.11 -157.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 1.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.492 ' O ' ' O ' ' A' ' 52' ' ' ALA . 20.5 mm100 -37.44 161.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 1.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -52.64 -14.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 53' ' ' GLN . 7.3 m -66.81 175.35 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.2 mt-10 -148.66 77.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.6 pt-20 163.58 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 60.2 m -83.01 3.03 31.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 108.336 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 1.01 HG11 ' HG2' ' A' ' 7' ' ' ARG . 1.5 t -75.06 117.85 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.623 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 31.8 mtm -157.16 171.08 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.542 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 2.8 mt-30 -83.16 160.1 21.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.957 HG12 HG21 ' A' ' 89' ' ' ILE . 3.0 m -48.08 -51.97 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.505 ' N ' ' CG2' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -63.12 -24.82 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 109.98 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -72.26 -56.29 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 60' ' ' MET . 1.6 mtt180 -55.5 119.01 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' PRO . 6.5 tptt -78.96 -111.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 5.9 t-20 -169.07 123.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' CYS . 42.9 t -121.01 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 1.0 108.352 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.28 -152.72 0.27 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.538 1.149 . . . . 1.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 19.1 p90 -123.79 160.81 49.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.4 0.706 . . . . 1.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 1.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.24 -15.0 2.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.793 HG21 ' SG ' ' A' ' 95' ' ' CYS . 4.2 tt -61.25 165.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 109.353 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.622 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -117.78 -175.57 0.33 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 74' ' ' SER . 18.5 Cg_endo -74.93 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 1.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 66.38 -58.13 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 1.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 28.4 m-20 -66.99 -26.64 66.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.64 ' SG ' ' CD1' ' A' ' 85' ' ' PHE . 35.2 t -69.16 -71.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -49.0 -31.7 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.551 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -44.07 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.551 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.22 46.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.336 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.601 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 12.5 m120 -138.4 17.56 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.659 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 25.6 m 73.75 -165.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 68.7 m -59.27 162.22 4.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 1.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' ' SG ' ' A' ' 78' ' ' CYS . 11.2 t80 -142.64 105.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.564 ' OG ' HG22 ' A' ' 88' ' ' THR . 33.2 t -131.84 88.61 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.667 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -73.59 -8.97 58.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.564 HG22 ' OG ' ' A' ' 86' ' ' SER . 10.1 t -34.93 -34.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.957 HG21 HG12 ' A' ' 62' ' ' VAL . 4.2 mm -106.82 101.68 38.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 1.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.08 140.21 24.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 1.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.476 ' C ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 mt-10 85.06 32.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.661 ' CG1' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -153.23 179.1 1.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.31 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.02 106.33 2.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.667 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 46.2 m0 -75.12 -40.98 59.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.793 ' SG ' HG21 ' A' ' 73' ' ' ILE . 75.2 m -91.11 93.97 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.623 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 30.8 p90 -115.24 167.52 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 1.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.659 ' CD1' ' SG ' ' A' ' 83' ' ' CYS . 68.9 m-85 -85.05 142.47 38.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.1 Cg_endo -75.04 -8.02 19.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 1.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.3 ptt? -75.26 149.92 38.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 99' ' ' MET . 2.1 p 153.17 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 1.0 109.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.598 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -35.58 -90.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 2.9 mm-40 94.77 12.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.0 p-10 -101.65 17.68 22.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -39.56 151.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.751 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -142.34 165.37 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.596 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.861 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 39.6 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 tttt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -74.96 -179.47 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 1.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 106' ' ' TYR . . . -59.92 -117.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -158.07 -42.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 1.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -54.49 -16.93 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 1.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.529 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.6 ptm180 -102.69 22.72 13.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.8 m -150.59 -39.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 108.267 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.541 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 57.6 p -52.76 -114.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 109.957 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.612 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -75.8 -0.99 22.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.612 ' C ' ' O ' ' A' ' 10' ' ' ARG . 52.3 mt-30 19.67 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 1.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -128.79 153.07 79.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.0 74.8 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 1.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 3.8 ttpp 89.11 91.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 2.9 m-20 -130.69 -0.26 4.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.824 ' HG3' HG23 ' A' ' 17' ' ' VAL . 2.7 ptp180 39.4 -148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.824 HG23 ' HG3' ' A' ' 16' ' ' ARG . 75.8 t 76.34 143.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -130.04 145.54 51.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.6 t -137.53 50.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 108.351 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.42 -138.79 2.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 1.0 111.031 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 44.8 p90 -150.46 163.46 24.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 1.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.85 6.19 12.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.965 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.0 tt -60.19 176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 1.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.6 p -121.26 -54.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 2.9 p 158.16 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.2 m-20 -43.91 -56.09 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -56.1 -26.61 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.4 t -83.72 -30.03 27.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 108.353 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 4.1 m-85 -88.87 -10.81 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.2 m -104.05 -7.98 19.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 1.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -94.23 16.25 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 15.25 80.22 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.8 m -115.25 167.48 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -103.47 164.51 11.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 108.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 38' ' ' SER . 2.6 t80 -149.91 143.39 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -127.89 -84.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.705 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 4.7 p 91.84 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.397 1.061 . . . . 1.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 11.6 mt-30 -46.48 -17.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.684 ' CG1' HG13 ' A' ' 43' ' ' VAL . 86.5 t -111.28 93.45 18.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.5 Cg_endo -74.95 5.21 4.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.418 1.746 . . . . 1.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.9 1.27 35.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 1.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.684 HG13 ' CG1' ' A' ' 40' ' ' VAL . 1.4 m -143.75 179.01 1.26 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.05 121.73 6.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.705 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 4.7 m0 -65.93 -51.9 54.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.499 1.124 . . . . 1.0 108.03 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.965 ' SG ' HG21 ' A' ' 24' ' ' ILE . 4.4 m -87.71 121.92 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -151.77 -167.54 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.5 168.57 9.37 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 154.84 42.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 1.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.683 ' N ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -81.22 -41.55 1.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 27.0 mm100 67.4 167.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 110.325 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.2 59.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLN . 3.9 p -84.38 -91.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' ' NH1' ' A' ' 7' ' ' ARG . 11.0 mt-10 75.12 30.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' CG ' ' C ' ' A' ' 56' ' ' GLU . 3.1 mt-10 -155.31 -39.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 88.2 m -84.18 8.91 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 108.308 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.592 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 2.0 t -76.24 118.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 1.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.716 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -161.61 135.95 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 63' ' ' SER . 33.2 mt-30 -80.07 165.85 22.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.165 . . . . 1.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 62' ' ' VAL . 14.5 p -58.54 79.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.3 m 157.83 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 1.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -85.08 -17.01 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 96' ' ' PHE . 1.5 mmt-85 -58.42 -156.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -168.55 31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' A' ' 66' ' ' LYS . 39.2 m-80 31.73 93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.679 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 1.8 t -120.44 -162.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 45.2 -172.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.663 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 51.5 p90 -127.77 165.77 27.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 1.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.1 Cg_endo -75.0 76.72 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 1.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 168.41 -28.81 0.15 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 1.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.4 tt -57.79 165.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.567 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -129.88 -178.17 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.91 164.73 32.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 1.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.4 mt-10 70.16 -44.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.0 m-20 -75.63 -57.31 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 30.0 t -43.41 -52.29 6.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.0 108.318 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.72 87.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -90.08 23.6 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 77' ' ' ASP . 17.7 mmm180 -136.99 -43.24 0.57 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.1 p30 153.1 114.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 1.0 109.338 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 48.3 m 100.83 145.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.665 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 97.0 m -73.65 168.83 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 1.0 108.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 11.6 t80 -143.56 108.35 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.6 t -137.22 87.26 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.631 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -77.4 -2.64 36.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.892 HG23 HD12 ' A' ' 89' ' ' ILE . 10.5 t -34.18 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.892 HD12 HG23 ' A' ' 88' ' ' THR . 1.6 mt -121.63 128.69 25.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 1.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.94 156.31 43.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 1.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER 83.77 -73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 1.0 110.231 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.515 ' CG1' HG23 ' A' ' 62' ' ' VAL . 1.8 m -39.17 164.6 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.98 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.631 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 43.5 m0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.999 -1.112 . . . . 1.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 32.2 m -94.09 104.32 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 108.297 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 7.1 p90 -123.0 -170.48 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 1.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.679 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 5.3 m-85 -102.44 144.89 29.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 97' ' ' PHE . 18.6 Cg_endo -74.95 115.11 4.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.433 1.754 . . . . 1.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.91 87.79 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -44.63 132.46 6.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.017 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -106.16 -101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.2 tt0 89.68 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 1.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -36.79 -37.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -55.45 -177.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.752 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.9 p-80 -144.88 -174.96 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 1.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 4' ' ' ALA . 3.2 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 1.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.65 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 174.42 12.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.72 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -37.46 -46.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.276 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . . . 88.47 -10.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' SG ' HG12 ' A' ' 101' ' ' VAL . 1.7 m -87.24 13.47 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.574 ' CD ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -133.67 19.94 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 35' ' ' CYS . 3.7 m -117.66 -51.76 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 1.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 p -89.77 -0.02 57.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.45 ' NH1' ' OD2' ' A' ' 103' ' ' ASP . 6.3 tpm_? -103.57 -23.12 13.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 mt-30 -49.83 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.551 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t70 -100.57 148.6 35.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.667 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.0 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 1.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.667 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 104.45 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.543 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 2.8 m-80 -160.54 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -111.69 157.66 20.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 1.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 18' ' ' ASN . 1.5 t -80.01 -175.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.639 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.9 p30 -91.87 156.92 17.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 46' ' ' CYS . 51.0 t -139.83 43.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.5 -147.03 6.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.84 166.34 25.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 1.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.37 6.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.592 1.838 . . . . 1.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.68 7.3 20.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 1.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.034 HG21 ' SG ' ' A' ' 46' ' ' CYS . 3.7 tt -62.56 173.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASP . 17.0 p -131.3 39.7 3.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 30' ' ' PHE . 53.7 p 62.73 -71.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 25' ' ' THR . 25.8 m-20 -38.64 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -46.54 -23.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 1.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.9 t -88.58 -37.65 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 3.4 m-85 -88.36 36.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' SER . 85.6 m -69.02 19.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 30' ' ' PHE . 2.0 t 78.87 -0.81 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.84 -55.66 0.65 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 1.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -105.38 162.0 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.3 m -107.4 169.72 8.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 1.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 46.2 t80 -151.73 102.74 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.644 ' C ' ' H ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -96.55 -60.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.718 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER 67.98 -34.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.644 ' H ' ' C ' ' A' ' 37' ' ' ASP . 13.0 mt-30 -48.94 -14.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG12 HG13 ' A' ' 43' ' ' VAL . 97.7 t -107.73 99.16 28.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.3 Cg_endo -74.96 134.69 18.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.429 1.752 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.71 -36.14 4.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.579 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -93.07 179.7 1.24 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 1.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.96 119.55 5.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.764 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.718 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 36.1 m0 -72.62 -51.44 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.02 -1.104 . . . . 1.0 108.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 1.034 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -93.32 104.2 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 1.0 108.351 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 45' ' ' TRP . 3.0 p90 -134.4 -166.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.736 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -88.99 161.47 40.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 1.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.547 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -74.95 159.98 40.85 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 1.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -121.65 68.25 22.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.547 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 174.43 12.79 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 1.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . 175.51 38.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 158.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 1.0 110.322 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.22 2.97 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 1.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 58.5 m -69.07 -53.1 22.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.999 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.687 ' CG ' ' HB2' ' A' ' 4' ' ' ALA . 3.5 tt0 86.81 13.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 1.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.09 -22.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.0 m -83.02 1.13 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 108.374 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 7' ' ' ARG . 1.5 t -65.09 123.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.658 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -167.42 150.97 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 1.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 53.9 mt-30 -73.24 160.15 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 1.0 110.317 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 HG11 ' A' ' 92' ' ' VAL . 32.6 m -50.94 -46.93 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 1.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 62' ' ' VAL . 2.5 t -70.15 -23.12 62.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -68.97 -58.45 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 26.0 mtt180 -50.8 104.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.484 ' HG3' ' CD1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -57.4 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.408 ' H ' ' CG ' ' A' ' 66' ' ' LYS . 5.5 t30 171.21 106.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.7 t -125.25 -157.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 1.0 108.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 43.19 -168.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 1.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.659 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 40.9 p90 -130.63 164.79 39.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 1.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.0 86.58 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.549 1.815 . . . . 1.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.69 -21.29 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 1.0 110.989 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.659 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.2 tt -64.18 163.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.607 ' C ' ' CE2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -125.9 -177.37 0.57 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 110.048 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.1 Cg_endo -74.96 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 tt0 67.92 -52.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 1.0 110.274 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.606 ' O ' ' N ' ' A' ' 81' ' ' ARG . 67.4 m-20 -64.38 -59.52 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.431 ' SG ' HD13 ' A' ' 73' ' ' ILE . 8.5 t -45.52 -55.68 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.16 94.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -88.47 19.46 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 77' ' ' ASP . 67.7 mtt-85 -131.74 -42.97 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.658 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER 149.87 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.238 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.658 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 60.8 m 104.41 139.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.614 1.196 . . . . 1.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.612 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 96.8 m -66.45 167.58 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 108.313 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CE2' ' C ' ' A' ' 74' ' ' SER . 20.0 t80 -142.17 105.62 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -132.92 92.03 2.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.608 ' O ' ' C ' ' A' ' 88' ' ' THR . 12.3 p-10 -75.05 0.12 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 1.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.608 ' C ' ' O ' ' A' ' 87' ' ' ASP . 3.4 t -19.63 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.752 HG22 HG22 ' A' ' 92' ' ' VAL . 1.2 mp -123.99 146.84 52.32 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -33.21 4.85 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.86 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -94.16 61.56 2.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.6 1.187 . . . . 1.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 91' ' ' GLU . 17.9 m -165.18 160.08 14.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HG2' ' CB ' ' A' ' 65' ' ' ARG . 18.0 Cg_endo -75.08 80.35 2.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.551 1.816 . . . . 1.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.7 ' NE1' ' O ' ' A' ' 89' ' ' ILE . 32.5 m0 -39.91 -47.01 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 1.0 107.996 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 73' ' ' ILE . 24.0 m -94.83 112.33 24.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.0 108.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.658 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 19.5 p90 -135.66 -172.98 3.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 1.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 6.6 m-85 -103.08 158.21 32.22 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 1.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 100' ' ' SER . 18.3 Cg_endo -74.97 -16.02 20.52 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.516 1.798 . . . . 1.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.536 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER 58.77 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.4 m 157.11 179.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 103' ' ' ASP . 2.7 m -99.61 -111.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.7 OUTLIER 57.67 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 101' ' ' VAL . 7.7 t70 -44.76 -31.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 2.7 m -71.58 -77.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.445 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 20.8 p-80 36.87 -156.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.131 . . . . 1.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 1.276 ' CZ ' ' HB2' ' A' ' 5' ' ' ALA . 1.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.461 ' HD3' ' CD2' ' A' ' 106' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.772 ' HG2' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.91 -77.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.734 ' O ' ' CE2' ' A' ' 106' ' ' TYR . . . -163.35 -103.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . 171.45 -37.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.438 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 62.1 m -57.97 -13.22 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 108.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.834 ' HB3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -113.41 22.7 13.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 110.236 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.15 -66.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 108.244 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 2.3 p -84.73 57.45 4.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 1.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.726 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER 174.77 -19.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 1.0 110.358 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.726 ' O ' ' O ' ' A' ' 10' ' ' ARG . 14.0 tt0 -43.83 -119.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.535 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 1.9 t70 -152.97 147.81 19.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.772 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.97 74.43 3.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.772 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.0 ttpp 117.14 91.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.535 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 1.7 m-80 -158.31 -42.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -114.91 169.29 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 1.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' H ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -97.25 178.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 8.6 t-20 -78.06 139.6 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.534 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 39.5 t -127.43 51.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.86 -150.13 8.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 1.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -127.48 164.03 38.73 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.95 8.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 1.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.94 7.51 23.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 1.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.803 HG21 ' SG ' ' A' ' 46' ' ' CYS . 5.3 tt -65.13 174.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 0.749 . . . . 1.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.0 p -124.29 -51.19 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 1.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 6.8 p 160.23 -72.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -61.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.246 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -51.05 -25.14 4.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 t -85.64 -34.94 21.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 1.0 108.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.862 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 9.5 m-85 -86.77 2.08 50.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 1.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -109.82 -11.84 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -98.75 14.3 29.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 1.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.31 86.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 1.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 m -101.42 169.88 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -110.05 174.11 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 33.0 t80 -147.35 89.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 1.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.3 t70 -111.1 81.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.63 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -75.97 -13.3 60.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 1.0 109.966 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.1 mt-30 -49.81 -17.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.693 ' CG1' HG22 ' A' ' 43' ' ' VAL . 93.7 t -113.66 91.71 21.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.535 1.808 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.46 3.21 30.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 1.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.693 HG22 ' CG1' ' A' ' 40' ' ' VAL . 1.5 m -145.89 -175.57 0.48 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.654 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.05 124.52 8.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.63 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 5.5 m0 -73.22 -52.94 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 107.991 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.803 ' SG ' HG21 ' A' ' 24' ' ' ILE . 3.8 m -91.91 109.78 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 1.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -142.59 -158.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 111.043 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.722 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.31 137.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.512 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.91 -179.74 5.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.45 1.763 . . . . 1.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.81 ' O ' HG13 ' A' ' 59' ' ' VAL . 1.9 pp -126.92 64.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 -171.82 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.896 ' HB3' ' CB ' ' A' ' 55' ' ' SER . . . -133.53 -175.31 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.644 ' C ' ' H ' ' A' ' 55' ' ' SER . 1.6 mt-30 -58.05 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 59.04 -4.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.896 ' CB ' ' HB3' ' A' ' 52' ' ' ALA . 2.2 m -37.19 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . 11.9 mt-10 64.64 53.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 5.2 pt-20 164.12 -33.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.475 ' O ' ' HE3' ' A' ' 60' ' ' MET . 71.7 m -85.41 7.28 23.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 1.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' ' 7' ' ' ARG . 4.8 t -68.29 131.52 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.717 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.9 ptp 177.12 149.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' ALA . 1.7 mp0 -80.16 159.83 25.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 1.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 89' ' ' ILE . 7.5 p -49.65 -28.91 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 1.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -91.31 30.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 1.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -126.31 -61.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.55 ' NE ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -36.22 155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -111.9 -92.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.572 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 11.9 t30 173.23 113.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 1.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.5 -84.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 108.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.32 -147.22 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 1.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.689 ' CZ ' HD12 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -122.96 157.03 61.5 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 1.0 111.064 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 83.71 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.5 -26.44 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 1.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.689 HD12 ' CZ ' ' A' ' 70' ' ' TYR . 10.4 tt -46.63 161.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 1.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.543 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -80.67 -179.99 1.67 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.06 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.688 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.91 -90.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 6.9 pt-20 -46.79 -33.75 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.02 -30.43 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.544 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 47.6 t -77.52 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.18 . . . . 1.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 78' ' ' CYS . . . -35.99 -34.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.363 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -38.04 -69.19 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.586 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -149.22 50.25 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 110.344 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.544 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 15.3 m120 -142.0 28.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 9.3 m 72.91 -162.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 1.0 108.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.634 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 63.8 m -66.19 162.82 19.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 1.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 75' ' ' PRO . 47.4 t80 -144.47 94.43 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.472 ' HB3' ' HE1' ' A' ' 96' ' ' PHE . 22.9 t -125.42 100.74 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.579 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -81.35 -3.59 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 1.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.808 HG23 HD12 ' A' ' 89' ' ' ILE . 9.5 t -29.69 -41.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.183 . . . . 1.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.808 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -109.41 106.0 57.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 1.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.598 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 139.62 24.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.567 1.825 . . . . 1.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.26 30.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 1.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.548 ' CG1' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -152.57 174.99 3.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.55 ' HD2' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.07 95.54 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 1.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -61.86 -37.93 86.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 1.0 108.038 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.68 ' SG ' HG21 ' A' ' 73' ' ' ILE . 65.7 m -89.27 94.08 9.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.717 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 36.5 p90 -116.15 169.25 9.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 67' ' ' ASN . 71.1 m-85 -86.25 153.33 56.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 1.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.57 87.0 7.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' VAL . 7.3 p -40.95 157.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.472 HG23 ' H ' ' A' ' 102' ' ' GLU . 1.5 m -54.91 -107.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 70.22 -73.1 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -72.42 -14.63 61.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -100.19 136.15 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 108.349 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -161.66 179.27 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 1.0 109.627 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.862 ' CE1' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 1.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.625 ' CE ' ' CE1' ' A' ' 106' ' ' TYR . 2.0 mmmm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.271 -0.641 . . . . 1.0 109.271 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.706 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.95 -34.7 3.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' A' ' 5' ' ' ALA . . . 161.28 -105.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . 161.75 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -69.66 -4.03 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 108.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.52 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -121.74 17.11 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 1.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HA ' ' HG3' ' A' ' 11' ' ' GLN . 1.7 m -132.19 -42.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -92.09 -20.39 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 1.0 109.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.548 HH22 ' HB1' ' A' ' 64' ' ' ALA . 4.3 ttt180 -90.69 -22.72 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 110.281 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 6.6 mt-30 -46.75 168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.533 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 6.0 t70 -91.01 145.67 32.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.716 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.1 85.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 1.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.716 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 15.3 ttmt 108.32 81.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.533 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 7.1 m-80 -162.37 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 1.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.624 ' HG3' ' CG ' ' A' ' 47' ' ' PHE . 5.6 mmp_? -57.15 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 18' ' ' ASN . 1.4 t -138.78 32.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.1 t-20 60.87 142.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 1.0 109.237 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.5 t -140.99 60.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.19 -148.92 13.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.64 ' O ' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -129.07 164.73 37.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 1.0 111.016 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.98 2.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.526 1.803 . . . . 1.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ILE . . . 118.75 -9.62 12.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 1.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 21' ' ' PHE . 8.4 tt -42.96 165.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.587 ' O ' ' C ' ' A' ' 26' ' ' SER . 48.8 p -114.08 124.25 51.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' PHE . 83.2 p -22.86 -71.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' PHE . 98.8 m-20 -37.53 -71.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 1.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' HG2' ' OG1' ' A' ' 25' ' ' THR . 25.8 mm-40 -46.49 -28.51 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.387 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 t -81.94 -32.75 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 106' ' ' TYR . 4.8 m-85 -91.08 35.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 31' ' ' THR . 51.9 m -71.19 14.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 1.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 79.38 -5.71 1.91 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 1.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.71 -40.71 4.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.1 m -129.87 175.76 8.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 3.8 m -119.38 168.65 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 108.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 18.4 t80 -139.99 95.29 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.0 t70 -121.93 88.72 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.689 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 31.4 t -84.76 -11.19 56.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 1.149 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 13.1 mt-30 -50.72 -13.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 HG13 ' A' ' 43' ' ' VAL . 87.1 t -111.21 94.15 20.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.03 132.19 15.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 1.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.09 -17.52 34.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG13 HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -116.42 178.1 1.06 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 1.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 119.62 5.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 1.0 111.032 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.689 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 23.6 m0 -73.27 -53.47 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 8.9 m -89.58 107.2 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CG ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -134.0 -166.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -111.5 143.04 27.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.45 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 157.73 42.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 1.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.759 ' CB ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -52.84 -73.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.759 ' HD3' ' CB ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.97 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 1.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.9 54.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -139.82 142.66 36.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.67 0.01 19.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m -43.66 -56.33 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 110.048 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.57 81.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 1.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 174.44 -33.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.85 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.6 m -84.1 -84.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.85 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.9 OUTLIER 26.59 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.78 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 4.3 ptp 179.08 138.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 1.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.6 mt-30 -83.82 165.99 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 62' ' ' VAL . 12.3 p -61.01 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t 160.39 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -81.69 -16.82 50.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 178.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.681 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -129.6 -34.48 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.681 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 26.5 t30 98.36 84.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.9 t -120.95 -168.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 108.253 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 46.57 -176.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 1.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.654 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 44.8 p90 -125.57 164.36 33.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 81.4 2.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 1.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.31 -25.75 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 1.0 111.027 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.654 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 4.6 tt -56.79 160.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 1.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.558 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -97.32 -178.97 0.8 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 1.0 109.971 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.493 1.786 . . . . 1.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -50.7 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 1.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -64.58 -53.72 43.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 41.8 t -50.55 -65.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 108.374 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.21 61.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.57 13.73 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.603 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 9.1 mmt180 -121.86 -45.91 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 1.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 10.7 m-20 146.62 113.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.721 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 111.17 143.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.705 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 47.7 m -66.15 164.49 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.3 t80 -142.79 99.72 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.556 ' OG ' HG22 ' A' ' 88' ' ' THR . 45.7 t -132.1 97.27 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.574 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 1.8 p-10 -82.28 -6.02 58.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 89' ' ' ILE . 5.1 t -31.48 -40.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.804 HD12 HG23 ' A' ' 88' ' ' THR . 1.0 OUTLIER -108.93 103.89 53.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.97 140.73 25.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 1.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.07 28.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.534 ' CG1' HG22 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -152.09 177.11 2.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 1.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 103.49 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 1.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.574 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 40.3 m0 -71.21 -39.4 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.6 m -91.66 93.51 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 108.246 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.744 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 20.2 p90 -113.01 -173.18 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 67.1 m-85 -103.76 162.39 20.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 1.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.01 17.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.823 . . . . 1.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.762 ' HG3' HG22 ' A' ' 101' ' ' VAL . 9.5 ptt? -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.42 ' OG ' ' C ' ' A' ' 99' ' ' MET . 0.0 OUTLIER 61.89 79.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 1.0 109.958 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.762 HG22 ' HG3' ' A' ' 99' ' ' MET . 0.5 OUTLIER -138.01 -93.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.64 ' H ' HG23 ' A' ' 101' ' ' VAL . 4.0 tt0 94.06 -20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 105' ' ' HIS . 99.4 m-20 -71.22 -9.32 57.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 11.6 m -41.63 -45.64 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 108.361 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.812 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.3 p80 36.99 -154.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.535 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.776 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 53.0 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.478 ' HE2' ' CG ' ' A' ' 30' ' ' PHE . 8.3 mttt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.0 -70.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 1.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.579 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -178.94 -174.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.854 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -112.6 -15.35 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.9 m -76.65 -6.64 52.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 108.27 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HE ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -121.38 30.43 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CA ' ' OE1' ' A' ' 11' ' ' GLN . 2.1 m -147.26 -46.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 108.289 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 20.9 p -88.7 69.32 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.668 ' O ' ' C ' ' A' ' 11' ' ' GLN . 2.0 mmm180 158.43 -23.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 1.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.668 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -10.97 -92.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.5 t70 -150.99 145.61 18.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.04 67.86 5.89 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.492 1.785 . . . . 1.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 89.84 101.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.5 m-20 -117.01 -33.17 4.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER 85.27 3.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.435 1.085 . . . . 1.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.96 142.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.483 ' N ' ' ND2' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -130.95 160.37 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.25 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -140.13 55.7 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 108.268 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.76 -122.23 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.871 ' CE1' HD12 ' A' ' 24' ' ' ILE . 4.5 p90 -161.37 161.42 23.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 1.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 1.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.6 -1.1 11.22 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.871 HD12 ' CE1' ' A' ' 21' ' ' PHE . 3.8 tt -50.25 165.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 22.0 p -108.06 -57.99 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 1.0 110.367 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.8 p 159.93 -67.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -43.62 -55.09 4.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.58 -28.56 55.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 6.4 t -84.16 -38.17 21.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 1.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 3.4 m-85 -89.31 38.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' THR . 86.0 m -81.54 23.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 110.367 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 79.22 2.55 2.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 1.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.38 -61.34 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 1.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 37.9 m -114.87 170.1 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 1.0 108.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.551 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -110.12 169.92 8.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 108.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 48.5 t80 -151.25 115.64 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -102.29 -60.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.689 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.19 75.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 1.0 110.03 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.492 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 5.1 mt-30 -134.14 -8.53 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.779 ' CG1' HG13 ' A' ' 43' ' ' VAL . 6.8 t -137.68 116.77 9.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 4.18 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 1.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.462 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -112.52 4.71 26.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.143 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.779 HG13 ' CG1' ' A' ' 40' ' ' VAL . 3.3 m -139.32 169.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.598 0.822 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.05 121.33 6.49 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.545 1.813 . . . . 1.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.689 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 21.2 m0 -74.13 -46.61 41.49 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.082 -1.081 . . . . 1.0 108.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.737 ' SG ' HG21 ' A' ' 24' ' ' ILE . 3.5 m -88.49 124.52 34.07 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -144.22 -169.97 3.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 110.997 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -104.92 132.63 20.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 1.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.545 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.99 -165.62 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 1.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.912 HD22 ' CG ' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -137.87 56.95 12.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 137.9 22.25 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 1.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.641 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -165.96 74.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.641 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER 151.41 167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.56 5.57 14.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.445 ' CB ' ' HG2' ' A' ' 57' ' ' GLU . 57.0 m -152.01 153.71 34.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 44.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 110.365 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 55' ' ' SER . 8.5 pt-20 -109.6 -30.23 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' SD ' ' A' ' 60' ' ' MET . 66.8 m -84.44 -74.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.749 ' O ' ' HB2' ' A' ' 60' ' ' MET . 1.5 t 44.05 -147.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.749 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER 78.18 142.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 111.068 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.912 ' CG ' HD22 ' A' ' 50' ' ' LEU . 11.2 mt-30 -86.45 169.75 12.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 1.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.599 ' CG1' HD13 ' A' ' 89' ' ' ILE . 19.7 m -51.18 -32.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 p -97.69 46.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 1.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.36 -45.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 1.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.613 HH12 HG21 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -51.57 128.73 23.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 1.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.491 ' CD ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 tmtp? -111.38 128.33 55.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 1.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LYS . 6.9 p30 -37.49 110.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.619 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 7.9 t -132.17 103.79 6.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 108.26 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.29 -150.08 17.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.427 1.08 . . . . 1.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -120.54 153.48 56.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 1.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 8.29 2.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 1.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.99 -16.59 10.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 1.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.529 ' CG2' ' SG ' ' A' ' 95' ' ' CYS . 4.4 tt -59.96 165.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 1.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -127.04 -176.42 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.05 169.14 23.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 1.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 tm-20 69.98 -51.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 1.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 81' ' ' ARG . 33.4 m-20 -73.87 -50.64 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 47.6 t -46.22 -39.32 9.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 108.33 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.78 -36.68 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.49 20.42 2.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mmp_? -131.2 -48.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.731 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.8 m-20 149.79 114.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.731 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 99.6 m 115.65 145.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 108.339 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 9.9 m -70.94 168.46 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 47.7 t80 -143.45 97.86 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 t -128.18 97.43 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.619 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 5.3 p-10 -90.02 -2.11 58.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.929 HG23 HD12 ' A' ' 89' ' ' ILE . 9.8 t -34.92 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.929 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -121.7 129.94 24.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.329 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.03 149.39 36.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.544 1.812 . . . . 1.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER 89.16 -68.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 1.0 110.287 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.613 HG21 HH12 ' A' ' 65' ' ' ARG . 12.2 m -39.48 161.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.446 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.01 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.438 1.757 . . . . 1.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.619 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -51.78 -43.54 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 1.0 107.969 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 96.1 m -95.5 108.7 20.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 84' ' ' CYS . 7.3 p90 -130.55 -172.41 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 80.5 m-85 -97.89 147.29 32.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.95 25.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.53 151.94 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.48 127.31 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 1.0 110.058 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -147.2 -97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 5.7 tt0 88.32 31.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 9.5 p-10 -163.88 31.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 3.3 m -65.42 -58.04 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.854 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 7.8 p-80 54.07 165.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 1.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.5 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 89.4 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.629 ' NZ ' ' CZ ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.689 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.98 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 1.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.77 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . 162.23 -43.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.335 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . . . 103.48 -9.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.02 ' SG ' HG12 ' A' ' 101' ' ' VAL . 96.1 m -79.48 -5.36 54.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 1.0 108.366 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.734 ' HG2' HG11 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -134.76 40.86 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 1.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.647 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.3 m -142.67 -41.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 1.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.545 ' C ' ' O ' ' A' ' 8' ' ' CYS . 24.3 p -26.88 87.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.647 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 41.32 31.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 10' ' ' ARG . 1.6 mm-40 18.63 -94.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.536 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 5.1 t70 -138.35 148.2 58.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 81.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.791 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 7.9 tttp 97.66 97.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -139.96 -22.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 5.0 ptp85 42.77 78.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG11 ' NZ ' ' A' ' 48' ' ' LYS . 2.0 t -151.31 38.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.493 ' C ' ' O ' ' A' ' 17' ' ' VAL . 12.4 t-20 -33.52 148.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -133.53 16.63 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 108.248 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . -154.19 -135.91 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 1.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.759 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -141.14 164.44 35.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 1.0 110.996 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.31 7.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 1.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.11 12.58 16.96 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.49 1.119 . . . . 1.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.016 HG21 ' SG ' ' A' ' 46' ' ' CYS . 2.6 tt -68.37 175.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.404 0.708 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.6 p -141.0 46.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 29' ' ' CYS . 80.5 p 60.64 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 m-20 -38.75 -67.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -48.27 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.305 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.7 t -90.0 -34.84 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 108.26 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 6.1 m-85 -91.94 8.44 37.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.0 m -115.51 -13.48 11.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.463 1.102 . . . . 1.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 p -99.78 9.14 43.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.0 110.027 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.43 -4.52 86.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 1.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 95.6 m -85.81 171.75 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 2.1 m -114.86 160.29 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 108.318 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 38' ' ' SER . 24.9 t80 -143.51 142.0 30.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 1.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -131.56 -57.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.603 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER 51.5 64.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 1.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.498 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.4 mt-30 -129.15 -6.25 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 1.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG12 HG22 ' A' ' 43' ' ' VAL . 24.2 t -126.91 123.86 23.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 118.45 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 1.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.76 -64.2 0.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 1.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.707 HG22 HG12 ' A' ' 40' ' ' VAL . 10.5 m -54.97 167.17 0.67 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 1.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.02 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 110.997 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.603 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 37.6 m0 -66.71 -45.44 78.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 1.016 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.3 135.8 33.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -151.33 -167.82 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 111.02 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.503 ' NZ ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -114.12 155.17 45.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.526 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 170.16 21.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 1.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.045 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -118.99 72.48 11.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.223 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -75.06 149.73 36.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 1.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.71 148.48 26.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' NE2' ' HB1' ' A' ' 79' ' ' ALA . 11.5 mm100 56.58 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.96 -7.12 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 1.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 2.2 t -65.54 -53.03 47.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.631 1.207 . . . . 1.0 110.022 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 55' ' ' SER . 14.9 tt0 88.46 -27.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.82 11.45 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 55' ' ' SER . 77.6 m -86.97 9.81 18.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 1.0 108.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 1.045 HG13 ' O ' ' A' ' 50' ' ' LEU . 2.1 t -72.36 145.8 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.856 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 10.8 ptp 175.74 138.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 63' ' ' SER . 15.8 mt-30 -84.78 166.19 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.347 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.848 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -57.64 83.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 156.99 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.856 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -81.71 -18.59 43.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.596 ' HD3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.07 -171.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -151.37 -110.44 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -176.79 74.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 109.369 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 35.1 t -111.62 64.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 108.275 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.81 -176.24 35.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.413 1.071 . . . . 1.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.772 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -123.03 162.23 40.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 1.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 1.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.26 -14.89 23.08 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.381 1.051 . . . . 1.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.772 HG22 ' O ' ' A' ' 70' ' ' TYR . 14.2 tt -69.85 165.01 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -106.97 178.41 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.622 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -75.0 -61.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.433 1.754 . . . . 1.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 28.5 mt-10 -70.99 -11.2 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -87.42 -52.73 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 1.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 73' ' ' ILE . 15.9 t -51.63 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 1.0 108.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' HB1' ' NE2' ' A' ' 53' ' ' GLN . . . -52.81 -43.98 66.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.12 12.53 5.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 1.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.5 mmt180 -120.11 -46.16 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.734 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 142.44 116.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.734 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 74.9 m 115.88 149.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 1.0 108.263 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.709 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 71.2 m -71.92 154.83 40.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 19.8 t80 -140.19 100.11 3.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.565 1.166 . . . . 1.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.1 t -131.02 92.43 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 110.014 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.605 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.4 OUTLIER -79.44 -1.61 38.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 1.0 109.382 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.931 HG23 HD13 ' A' ' 89' ' ' ILE . 11.9 t -34.17 -34.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.931 HD13 HG23 ' A' ' 88' ' ' THR . 1.2 mp -120.01 109.49 37.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 1.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.639 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.9 140.49 25.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 1.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.639 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.3 mm-40 97.97 21.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.734 HG11 ' CG2' ' A' ' 62' ' ' VAL . 2.5 m -142.29 165.53 26.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.99 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.57 1.826 . . . . 1.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.605 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 20.6 m0 -53.42 -39.04 64.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 108.024 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.696 ' SG ' HG21 ' A' ' 73' ' ' ILE . 92.7 m -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.824 ' CE2' ' HE1' ' A' ' 60' ' ' MET . 14.4 p90 -112.05 -169.95 1.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 1.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 57.5 m-85 -100.05 140.34 21.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 99' ' ' MET . 18.2 Cg_endo -74.99 176.91 9.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.431 1.753 . . . . 1.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 73.21 -165.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 99' ' ' MET . 0.9 OUTLIER 78.6 113.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 1.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.02 HG12 ' SG ' ' A' ' 6' ' ' CYS . 1.9 m -135.0 -103.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER 39.83 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 1.0 110.233 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.79 ' N ' ' O ' ' A' ' 101' ' ' VAL . 14.6 t0 -37.8 -28.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' A' ' 101' ' ' VAL . 4.5 m -60.82 140.64 57.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.587 1.179 . . . . 1.0 108.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -173.17 -179.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 1.335 ' CZ ' ' HB2' ' A' ' 5' ' ' ALA . 47.9 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 1.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 5.6 mttt 162.73 102.68 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 -84.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.861 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . . . -159.41 -171.61 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.659 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -98.52 -32.47 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m -72.06 -20.01 61.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.861 ' HG3' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -81.05 -11.04 59.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.06 -70.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 108.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 p -50.85 -55.44 16.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 110.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.02 50.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 1.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -79.58 -101.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.543 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.2 t70 -151.29 146.6 19.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 1.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.06 78.36 2.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 1.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 91.03 108.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -116.65 -7.09 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 45.15 23.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 15' ' ' ASN . 60.4 t -132.97 149.91 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 3.2 p30 -130.03 163.08 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -138.64 24.94 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 108.277 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.94 -139.23 3.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 1.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' A' ' 24' ' ' ILE . 53.5 p90 -144.4 161.27 45.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 1.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 112.17 3.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.533 1.807 . . . . 1.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.68 3.65 16.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 1.0 111.081 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.909 HG21 ' SG ' ' A' ' 46' ' ' CYS . 3.5 tt -58.34 175.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' SER . 23.4 p -119.0 -55.35 2.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 4.6 p 159.93 -74.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.4 t70 -41.44 -56.14 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -55.64 -26.71 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.1 t -84.43 -31.89 24.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 108.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 22.6 m-85 -85.36 -8.82 58.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ASP . 19.8 m -99.52 -10.61 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -95.85 12.97 28.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.59 7.92 85.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 59.1 m -108.85 161.15 15.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.517 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -101.4 167.78 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 41.7 t80 -150.07 126.89 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.737 ' O ' ' HB3' ' A' ' 38' ' ' SER . 0.2 OUTLIER -121.96 -70.42 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 1.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.862 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 30.0 t 84.53 -31.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 110.059 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.636 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -30.42 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 110.301 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.556 HG12 HG13 ' A' ' 43' ' ' VAL . 39.0 t -93.43 108.32 32.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.06 136.25 20.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 1.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.08 -52.71 0.98 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 1.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -70.05 -179.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 1.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 117.24 4.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.432 1.754 . . . . 1.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.862 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 34.3 m0 -74.03 -49.13 25.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.909 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -89.46 118.82 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 108.258 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -140.24 -165.61 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 1.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -97.43 164.38 17.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.289 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -170.18 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.55 1.816 . . . . 1.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.71 HD21 ' CG ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -138.19 59.38 18.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.03 157.33 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.607 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -172.77 39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER 168.07 155.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.227 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.89 2.19 18.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 1.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -131.67 128.53 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 1.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.35 55.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' SD ' ' A' ' 99' ' ' MET . 10.1 pt-20 -125.51 -31.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 84' ' ' CYS . 81.6 m -84.46 -78.91 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 108.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.72 ' O ' ' HB3' ' A' ' 60' ' ' MET . 1.8 t 49.45 116.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.821 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 14.4 ptp 163.08 145.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.71 ' CG ' HD21 ' A' ' 50' ' ' LEU . 2.8 mt-30 -87.73 171.1 10.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.251 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.884 HG12 HH12 ' A' ' 65' ' ' ARG . 2.4 m -63.33 79.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 161.51 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.956 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -86.91 -7.94 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.884 HH12 HG12 ' A' ' 62' ' ' VAL . 18.3 mtt180 -80.32 8.63 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.685 ' CE ' ' CE2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 35.95 -98.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.584 ' C ' ' HE2' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 160.72 82.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' CYS . 41.8 t -77.57 -84.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.97 -155.23 0.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.738 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -122.47 158.46 56.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.764 . . . . 1.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 7.76 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 1.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 -13.43 13.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 1.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.642 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 3.3 tt -75.35 164.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -115.99 -176.55 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.963 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.664 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.93 174.38 12.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 1.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.38 -58.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.859 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 7.9 m-20 -63.74 -35.18 79.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.494 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 40.9 t -62.42 -70.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.102 . . . . 1.0 108.356 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.22 -12.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 77' ' ' ASP . . . -54.88 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.521 ' HD2' ' HB1' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.86 48.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.519 ' OD1' ' CD1' ' A' ' 73' ' ' ILE . 10.6 m120 -134.33 -108.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 4.6 m -154.95 -168.24 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 108.252 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 1.311 ' SG ' ' SG ' ' A' ' 58' ' ' CYS . 4.0 m -47.06 157.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 75' ' ' PRO . 73.2 t80 -143.42 82.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.478 ' OG ' HG22 ' A' ' 88' ' ' THR . 40.7 t -112.01 93.16 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.628 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -83.43 -6.63 59.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.955 HG23 HD12 ' A' ' 89' ' ' ILE . 9.0 t -34.38 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.955 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -117.93 106.97 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.01 144.5 30.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.452 1.764 . . . . 1.0 111.017 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.615 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 92.78 25.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.325 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.52 HG21 ' NH1' ' A' ' 65' ' ' ARG . 1.1 m -147.8 169.03 9.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 65' ' ' ARG . 17.9 Cg_endo -75.08 100.58 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 1.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.628 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 37.6 m0 -68.89 -46.18 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.814 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 75.2 m -83.48 92.01 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.348 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.792 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 30.8 p90 -122.15 159.53 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.157 . . . . 1.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' ' CE ' ' A' ' 66' ' ' LYS . 22.5 m-85 -65.46 151.09 95.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.43 36.59 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.537 1.809 . . . . 1.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.49 ' HG2' ' N ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -40.98 -36.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 1.0 111.032 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.49 ' N ' ' HG2' ' A' ' 99' ' ' MET . 33.8 m 35.74 69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.607 1.192 . . . . 1.0 109.963 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -151.11 -98.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.7 mt-10 90.03 0.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -92.8 25.17 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 1.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.09 177.02 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.659 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 43.7 p-80 -163.08 -167.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 1.0 109.528 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.889 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 12.3 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.312 -0.255 . . . . 1.0 110.312 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.539 ' HZ1' ' HE2' ' A' ' 106' ' ' TYR . 0.0 OUTLIER 64.61 100.5 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 1.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 -92.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.389 1.731 . . . . 1.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 1.011 ' HA ' ' OH ' ' A' ' 106' ' ' TYR . . . -174.75 143.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 1.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -61.01 -27.83 68.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 1.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.0 m -64.99 -13.13 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 108.204 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.821 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.32 14.29 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 110.259 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.666 ' O ' ' N ' ' A' ' 10' ' ' ARG . 5.2 m -134.15 -38.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 108.241 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.5 p -30.67 86.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 1.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 44.61 23.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 21.89 -91.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.593 1.183 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -119.13 152.89 52.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.4 Cg_endo -74.99 78.31 2.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 1.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 79.57 100.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CG ' ' CG ' ' A' ' 12' ' ' ASP . 3.7 m-20 -130.54 -3.34 4.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.379 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 64.25 8.61 4.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 1.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.1 t -63.89 167.71 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.565 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 2.9 p30 -172.75 130.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -140.17 28.17 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.23 -154.61 8.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.11 . . . . 1.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.935 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -126.74 163.31 41.86 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 1.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.61 10.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.377 1.725 . . . . 1.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.68 15.84 21.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.065 HG21 ' SG ' ' A' ' 46' ' ' CYS . 1.4 tt -71.71 -178.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 1.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CB ' ' A' ' 26' ' ' SER . 19.3 p -127.1 -48.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 1.0 110.433 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.1 p 151.07 -76.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.5 p-10 -41.08 -53.97 2.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -55.49 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.7 t -82.21 -39.24 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 1.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 106' ' ' TYR . 13.3 m-85 -76.19 -13.52 60.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 1.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.8 m -101.47 -11.02 19.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 1.0 110.362 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -94.74 20.39 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.92 44.55 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.8 m -110.25 165.21 11.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.574 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 24.9 m -104.94 162.88 12.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 1.0 108.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 36.7 t80 -150.63 113.21 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -102.45 -78.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 1.0 109.269 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.785 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER 88.15 -26.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 1.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.552 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 13.3 mt-30 -42.21 -21.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.572 HG12 HG13 ' A' ' 43' ' ' VAL . 97.9 t -106.06 101.9 36.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -75.04 129.1 12.0 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.16 -41.19 2.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.611 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -87.63 -175.43 0.58 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 1.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.611 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.1 123.7 8.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 1.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.785 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 33.3 m0 -82.17 -49.94 9.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 1.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 1.065 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.3 m -89.34 129.57 35.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 1.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.34 -167.89 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 110.965 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -94.01 165.33 18.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.226 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.503 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.02 153.99 42.09 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.525 1.803 . . . . 1.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -120.62 71.57 19.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 1.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -148.38 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 52' ' ' ALA . 3.1 mt-30 -35.34 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -54.17 -13.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 53' ' ' GLN . 68.2 m -93.65 90.12 6.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.047 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 tt0 -48.12 96.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 1.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.6 pt-20 165.33 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.5 m -80.13 -4.17 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 108.21 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 60' ' ' MET . 1.3 t -62.34 107.39 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.93 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 34.3 mtm -154.72 146.28 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -84.5 166.31 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 62' ' ' VAL . 13.5 p -60.84 83.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.3 m 158.99 -25.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.93 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -81.41 -19.21 43.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' CG ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -52.04 175.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 110.269 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 4.1 mmtm -131.92 4.88 4.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 41.4 t30 61.95 87.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.256 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.671 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 3.0 t -128.53 -173.46 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 1.0 108.319 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.27 -173.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -129.35 167.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 1.0 110.977 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 66.8 6.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 1.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -178.62 -36.52 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 1.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.518 HG21 ' SG ' ' A' ' 95' ' ' CYS . 14.2 tt -48.54 159.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -105.75 -178.25 0.59 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.611 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.08 -66.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 1.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -63.36 -12.59 31.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' ARG . 61.0 m-20 -91.21 -45.7 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 48.0 t -52.35 -62.27 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 1.0 108.346 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.81 82.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -69.21 -7.53 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -104.57 -57.65 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.738 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 6.7 m-20 151.23 107.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.738 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 66.0 m 120.55 149.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 1.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.773 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 77.1 m -74.31 165.11 25.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.7 t80 -142.46 105.03 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 t -135.62 100.9 4.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.578 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -83.46 -0.73 51.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.817 HG23 HD12 ' A' ' 89' ' ' ILE . 9.5 t -32.22 -37.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.817 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -114.79 107.67 50.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.03 140.01 24.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 1.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.2 mt-10 90.86 31.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 1.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -153.76 177.73 1.87 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.07 97.49 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 1.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.2 m0 -64.75 -38.22 90.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.773 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.1 m -95.12 107.38 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 1.0 108.292 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 3.5 p90 -120.95 -171.21 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.671 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 47.8 m-85 -108.38 130.46 22.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.177 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.3 Cg_endo -75.02 109.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 1.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.632 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER 162.37 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 1.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 99' ' ' MET . 5.2 p 98.51 171.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.547 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -33.35 -95.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 101' ' ' VAL . 18.5 mt-10 88.92 29.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.3 t0 -87.92 22.62 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -41.22 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.861 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -150.9 178.01 9.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 1.0 109.573 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 1.011 ' OH ' ' HA ' ' A' ' 4' ' ' ALA . 39.2 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 2' ' ' LYS . 15.3 pm0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.346 -0.242 . . . . 1.0 110.346 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 106' ' ' TYR . 1.9 mttt 73.67 124.0 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 17.9 Cg_endo -75.13 28.29 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.787 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 81.72 154.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.005 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -106.65 -15.9 14.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.514 ' SG ' HG21 ' A' ' 101' ' ' VAL . 36.2 m -66.5 -16.26 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.787 ' NE ' ' HB3' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -111.55 29.95 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.2 m -148.25 -58.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 108.292 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 96.9 p -46.73 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -76.32 52.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HG3' HD23 ' A' ' 50' ' ' LEU . 58.8 tt0 -75.77 -86.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.135 . . . . 1.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' A' ' 14' ' ' LYS . 6.7 t70 -150.43 146.19 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.98 32.54 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.4 mttt 163.8 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 1.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 1.3 m-80 -100.24 -11.96 19.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 17' ' ' VAL . 11.0 mtm105 43.63 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 16' ' ' ARG . 10.6 t -28.79 134.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 35.1 m-80 -103.52 158.76 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HB2' ' C ' ' A' ' 47' ' ' PHE . 3.9 t -131.61 56.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.3 -142.02 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 1.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.615 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.46 164.09 42.56 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 1.0 111.048 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.82 8.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 1.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.23 16.55 17.52 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.976 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.9 tt -75.18 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' SER . 7.8 p -131.53 -58.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 110.453 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER 177.08 -71.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.26 -60.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -56.47 -25.15 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' HD13 ' A' ' 24' ' ' ILE . 2.6 t -94.0 1.24 56.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 1.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.859 ' CE1' ' HD1' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -137.97 32.63 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 32' ' ' SER . 49.5 m -137.26 -108.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 1.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER -93.74 29.94 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -117.62 -93.65 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.556 1.16 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 29' ' ' CYS . 35.7 m -156.01 -156.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 10.4 m -89.61 165.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.612 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 25.8 t80 -150.69 80.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.9 t70 -98.04 96.89 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.61 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -93.28 38.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 1.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -77.81 -15.15 59.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.761 ' CG1' HG13 ' A' ' 43' ' ' VAL . 22.9 t -133.38 110.25 12.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.172 . . . . 1.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 5.01 4.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 1.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.62 4.11 27.77 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.484 1.115 . . . . 1.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.761 HG13 ' CG1' ' A' ' 40' ' ' VAL . 4.4 m -137.24 171.38 8.64 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.573 0.808 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.98 122.19 7.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.408 1.741 . . . . 1.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 2.1 m0 -82.06 -41.44 20.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 107.975 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.976 ' SG ' HG21 ' A' ' 24' ' ' ILE . 22.8 m -85.75 108.56 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 1.0 108.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -149.47 -171.66 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 111.067 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.528 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -89.51 153.56 48.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 1.0 109.419 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.541 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.615 1.85 . . . . 1.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 50' ' ' LEU . 1.7 pp -132.04 55.43 18.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 1.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 -176.98 3.16 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.532 1.806 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.646 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -175.8 87.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.646 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 150.75 172.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.259 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.63 8.61 5.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 1.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -144.84 166.38 25.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 1.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 58.6 mt-10 -111.8 104.2 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.254 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 175.74 -24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 110.29 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.523 ' O ' ' CE2' ' A' ' 96' ' ' PHE . 91.2 m -82.26 4.15 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 1.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 7' ' ' ARG . 1.6 t -71.76 125.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.724 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 2.5 mtm -163.77 151.08 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -71.38 167.42 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.551 ' CG1' HG21 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -62.58 -19.9 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -93.45 -15.03 26.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.724 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -75.6 -52.77 9.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.511 ' CD ' ' HG2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -40.37 165.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 110.314 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -150.85 43.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.561 ' O ' ' O ' ' A' ' 66' ' ' LYS . 5.0 p30 40.68 100.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 5.7 t -127.31 60.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.5 -164.89 33.73 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -119.16 159.05 46.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 1.0 110.984 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 60.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.792 . . . . 1.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -169.83 -36.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.561 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.0 tt -40.01 160.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 1.0 109.276 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.519 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -107.7 179.16 0.92 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 1.0 109.96 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.98 -55.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 16.5 mt-10 -70.22 -17.85 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' ARG . 16.3 m-20 -87.59 -45.33 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 74' ' ' SER . 42.8 t -51.36 -62.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.405 1.065 . . . . 1.0 108.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.33 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -80.14 8.56 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 14.4 mmt180 -118.24 -51.55 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.746 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 15.3 m-20 143.0 110.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.39 1.056 . . . . 1.0 109.381 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.746 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 94.9 m 123.11 148.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 1.0 108.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.734 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 87.7 m -70.99 163.98 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 108.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.648 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 21.3 t80 -140.28 103.28 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 1.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 42.4 t -134.12 95.29 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.591 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -79.45 -4.06 49.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.765 HG23 HD12 ' A' ' 89' ' ' ILE . 7.0 t -30.67 -38.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.765 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -113.04 106.93 54.7 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.41 1.069 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.07 139.83 24.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 1.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.6 OUTLIER 90.86 32.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 1.0 110.337 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 89' ' ' ILE . 1.3 m -153.31 175.43 3.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 96.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.9 m0 -62.77 -34.82 78.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.734 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 90.0 m -95.5 101.43 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 1.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.635 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 5.0 p90 -115.76 -170.75 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 1.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.634 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 64.5 m-85 -104.24 130.95 22.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.2 Cg_endo -75.01 156.91 42.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 1.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 158.03 -169.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.52 174.28 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 1.0 109.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.7 OUTLIER -130.64 -98.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 101' ' ' VAL . 12.8 tt0 91.0 20.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -117.42 -13.73 10.36 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.2 m -87.72 135.93 33.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 1.0 108.246 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 1.005 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 4.0 p80 -91.83 176.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.569 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.859 ' HD1' ' CE1' ' A' ' 30' ' ' PHE . 46.9 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.356 -0.238 . . . . 1.0 110.356 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 4' ' ' ALA . 3.1 mttt 62.58 133.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.586 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 18.5 Cg_endo -74.93 23.08 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 1.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.78 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 76.37 139.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.859 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . . . -89.47 -5.83 56.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 83.2 m -76.09 2.14 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 1.0 108.299 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.783 ' HB3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -129.76 24.85 5.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.212 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -136.39 -46.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 1.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 p -95.28 -1.4 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 1.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -113.41 -16.14 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.305 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -61.53 -158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 2.4 t70 -85.02 145.51 43.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 1.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.99 81.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 93.07 104.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 1.0 109.378 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.924 ' O ' HG23 ' A' ' 17' ' ' VAL . 4.1 m-20 -112.24 -0.23 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.257 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 ttp-105 52.86 28.75 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 1.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 15' ' ' ASN . 38.5 t -124.0 155.09 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 20.7 t-20 -132.74 156.04 47.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 18' ' ' ASN . 8.3 t -140.08 67.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 1.0 108.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.16 -152.37 22.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.681 ' O ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -125.98 168.18 14.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 1.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -0.82 10.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.8 14.63 11.44 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.529 1.143 . . . . 1.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 21' ' ' PHE . 17.6 tt -72.19 164.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 1.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' ' C ' ' A' ' 26' ' ' SER . 81.9 p -128.68 127.65 42.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 1.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.637 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p -16.14 -70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.044 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -38.85 -67.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 25' ' ' THR . 21.9 mm-40 -53.66 -28.96 36.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 1.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 34' ' ' CYS . 6.9 t -90.69 3.49 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.347 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -138.94 31.67 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 32' ' ' SER . 87.2 m -133.33 -109.78 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 31' ' ' THR . 18.9 m -96.33 31.81 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 1.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.13 -90.33 1.39 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.455 1.097 . . . . 1.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.532 ' O ' ' O ' ' A' ' 29' ' ' CYS . 8.4 m -155.47 -155.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 5.9 m -95.23 162.47 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 108.359 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.648 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 17.6 t80 -144.1 79.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 22.9 t70 -99.15 93.01 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -82.7 -8.51 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.4 mt-30 -54.66 -14.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 ' OD2' ' A' ' 37' ' ' ASP . 54.7 t -111.56 93.42 19.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.4 Cg_endo -74.97 138.27 22.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 1.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.43 -29.82 11.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.483 HG13 HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -102.45 175.69 2.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 0.723 . . . . 1.0 109.261 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.0 122.32 7.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.568 1.825 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 13.6 m0 -77.16 -44.47 30.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 24' ' ' ILE . 62.8 m -88.74 103.91 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 1.0 108.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -135.22 -175.7 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -94.78 129.96 34.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.499 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -74.94 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 1.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.935 ' O ' HG13 ' A' ' 59' ' ' VAL . 1.1 pp -136.8 60.23 28.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 1.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.09 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 1.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 58' ' ' CYS . . . -142.76 -153.27 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.486 ' O ' ' O ' ' A' ' 52' ' ' ALA . 77.1 mm-40 -50.91 -169.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.254 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -48.34 -17.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 110.264 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.572 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -54.13 -162.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 110.076 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 59' ' ' VAL . 17.0 tt0 -153.12 -43.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.38 20.69 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.0 110.281 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 55.7 m -87.56 -4.96 58.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 1.0 108.263 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 50' ' ' LEU . 1.3 t -63.59 124.08 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.642 ' HE3' ' CD2' ' A' ' 96' ' ' PHE . 3.6 mtm -164.74 128.92 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' SER . 7.3 mt-30 -68.55 162.83 24.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 62' ' ' VAL . 11.6 p -62.4 82.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 1.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 p 158.16 -24.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -83.08 -18.74 38.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 1.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -50.4 179.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tttm -131.21 -21.62 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER 86.42 84.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 1.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.8 t -122.81 -168.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 108.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . 45.68 -173.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 1.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -132.33 168.61 16.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 1.0 111.038 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 60.37 5.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 1.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.1 -39.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.451 1.095 . . . . 1.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.589 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.3 tt -47.03 162.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 1.0 109.399 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -107.11 -178.75 0.62 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 1.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.646 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -75.03 -71.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.426 1.751 . . . . 1.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 35.2 mt-10 -59.83 -12.81 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.1 m-20 -90.04 -53.11 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.533 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 53.4 t -47.0 -57.26 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 1.0 108.26 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -87.38 19.57 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 77' ' ' ASP . 13.4 mmm180 -130.65 -47.03 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.679 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.9 p30 150.84 117.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 1.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.679 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 61.3 m 104.95 152.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 1.0 108.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.732 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.3 m -76.84 166.61 23.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 108.356 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 18.7 t80 -142.28 106.14 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.504 1.128 . . . . 1.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 t -137.31 88.84 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.0 110.049 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.597 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.0 p-10 -73.57 -2.87 24.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.787 HG23 HD12 ' A' ' 89' ' ' ILE . 6.8 t -32.39 -37.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.787 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -114.37 108.92 49.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 1.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -75.04 144.31 29.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 1.0 110.979 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER 86.22 33.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 89' ' ' ILE . 1.3 m -153.45 172.98 5.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.597 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 32.7 m0 -56.69 -35.09 68.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 1.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.732 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 63.4 m -93.41 98.86 11.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 11.4 p90 -116.32 -169.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 31.9 m-85 -107.73 145.9 32.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.79 39.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 1.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.405 ' SD ' ' SD ' ' A' ' 60' ' ' MET . 20.6 ptm -145.84 163.19 35.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 1.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.8 79.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.577 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -52.79 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.577 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 90.9 56.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 110.257 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -177.02 37.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 1.5 m -96.73 -69.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.685 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 2.7 p80 51.04 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 1.0 109.542 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.859 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 53.5 m-85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 1.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.324 -0.25 . . . . 1.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.624 ' HB3' ' OH ' ' A' ' 106' ' ' TYR . 2.8 mttt 62.62 143.11 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 1.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.641 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.96 -55.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 1.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.957 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . . . 167.4 112.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.228 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 104' ' ' CYS . . . -56.27 -12.95 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 104' ' ' CYS . 1.7 m -61.37 -54.6 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 108.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.957 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -84.93 42.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 1.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 2.8 m -146.28 -46.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.476 ' OG ' ' C ' ' A' ' 104' ' ' CYS . 28.7 p -105.9 65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' GLN . 2.6 tpp180 177.54 -31.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.354 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.672 ' O ' ' O ' ' A' ' 10' ' ' ARG . 13.8 tt0 -29.92 -105.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.565 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 4.3 t70 -153.81 145.91 17.09 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.76 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.01 49.58 2.3 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.481 1.779 . . . . 1.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.76 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 14.8 ttpp 132.21 99.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 1.0 109.339 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.648 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -137.3 1.39 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 48.82 61.89 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 1.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.842 HG12 ' HD3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -128.82 42.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 109.232 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 44' ' ' PRO . 64.6 t30 -56.7 144.35 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 40.7 t -141.23 15.47 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 108.232 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . -152.77 -150.31 5.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.115 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -129.2 162.44 52.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 1.0 110.908 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.17 9.22 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 1.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.56 10.51 28.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.404 1.065 . . . . 1.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.047 HG21 ' SG ' ' A' ' 46' ' ' CYS . 1.9 tt -67.96 -176.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 1.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 33.5 p -137.16 28.57 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 110.474 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.611 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . 24.4 p 65.82 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.492 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -41.85 -66.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -49.7 -22.26 1.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -86.88 -34.71 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 108.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 4.7 m-85 -82.25 33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 32' ' ' SER . 86.6 m -75.64 18.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 1.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 80.16 0.27 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.86 -53.5 1.03 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 1.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' CYS . 47.5 m -121.25 168.63 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.3 m -116.45 164.93 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 26' ' ' SER . 17.9 t80 -150.62 120.84 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 1.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.637 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -122.08 -75.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.657 ' HG ' ' HE3' ' A' ' 45' ' ' TRP . 4.0 m 97.73 52.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 1.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -85.79 -16.39 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.528 ' CG1' HG13 ' A' ' 43' ' ' VAL . 29.1 t -125.39 116.34 25.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.12 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.55 1.816 . . . . 1.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.59 -53.59 0.6 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 1.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.726 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 4.1 m -67.4 176.79 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.726 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.99 117.6 4.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.441 1.758 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.657 ' HE3' ' HG ' ' A' ' 38' ' ' SER . 36.9 m0 -78.38 -31.25 48.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 108.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 1.047 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.4 m -87.46 108.77 19.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 108.383 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -131.44 -162.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.842 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -91.42 150.56 41.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.702 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 57.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 1.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.702 ' C ' ' O ' ' A' ' 49' ' ' PRO . 6.9 tt -7.61 77.04 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.688 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 1.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 51' ' ' PRO . . . 173.74 124.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 85' ' ' PHE . 7.6 mm100 65.35 160.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.86 -3.26 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -94.45 173.25 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 1.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE2' ' NH1' ' A' ' 7' ' ' ARG . 3.0 mt-10 -121.28 4.49 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.12 -17.99 11.78 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.457 1.098 . . . . 1.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 37.8 m -83.94 5.75 24.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 1.0 108.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG11 ' HD2' ' A' ' 7' ' ' ARG . 1.4 t -75.19 121.44 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.984 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 3.1 ptp 177.75 156.74 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 1.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' SER . 8.2 mp0 -83.73 165.46 18.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.435 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 40.7 t -49.77 -22.79 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' GLN . 32.6 t -98.12 51.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.984 ' HB3' ' HG3' ' A' ' 60' ' ' MET . . . -148.91 -51.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.544 ' HG3' ' CG ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -38.82 159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 1.0 110.347 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -122.53 39.39 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 1.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' HA ' ' CB ' ' A' ' 93' ' ' PRO . 5.2 p-10 36.14 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 2.7 t -118.78 -179.92 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.175 . . . . 1.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.13 -166.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.423 1.077 . . . . 1.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.684 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -129.75 166.7 24.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 1.0 111.066 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.7 7.42 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.458 1.767 . . . . 1.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.7 -9.82 34.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 1.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 70' ' ' TYR . 8.1 tt -80.03 162.35 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.744 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.72 -179.96 0.86 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 1.0 109.972 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.679 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.97 -74.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 1.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 11.8 mt-10 -56.53 -14.56 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 81' ' ' ARG . 4.1 m-20 -89.12 -51.17 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.501 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 50.4 t -46.5 -57.5 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 1.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.38 97.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -87.4 20.11 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.248 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 77' ' ' ASP . 40.3 mmt-85 -131.79 -48.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.311 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.692 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.7 p30 150.4 114.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.692 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.0 m 108.13 148.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 1.0 108.367 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.709 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 88.0 m -72.86 170.48 14.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 1.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.679 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.8 t80 -143.57 106.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.5 t -134.07 86.36 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.64 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -75.4 0.28 17.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.897 HG23 HD12 ' A' ' 89' ' ' ILE . 7.6 t -30.22 -38.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 1.0 110.37 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.897 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -121.16 133.67 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.95 149.06 36.38 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.469 1.773 . . . . 1.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.6 mt-10 87.61 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 89' ' ' ILE . 14.7 m -38.93 162.68 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.493 ' CB ' ' HA ' ' A' ' 67' ' ' ASN . 18.4 Cg_endo -74.95 90.38 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.558 1.82 . . . . 1.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.64 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -48.81 -42.12 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 1.0 108.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.709 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.8 m -94.2 113.65 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 1.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.704 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 4.1 p90 -127.87 -170.65 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.633 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 93.4 m-85 -105.18 129.76 24.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.421 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.02 107.57 2.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.47 1.774 . . . . 1.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 ptm 169.98 -172.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.698 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 78.12 114.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.789 HG12 ' SG ' ' A' ' 104' ' ' CYS . 0.7 OUTLIER -161.17 -104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.26 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' H ' HG23 ' A' ' 101' ' ' VAL . 7.5 tt0 38.77 29.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.247 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' ' CZ ' ' A' ' 10' ' ' ARG . 1.6 p-10 -169.53 31.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 1.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.796 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 89.1 m -98.46 -25.34 14.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 108.246 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 104' ' ' CYS . 0.6 OUTLIER -30.97 148.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 1.0 109.618 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.794 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 56.1 m-85 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 1.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 30' ' ' PHE . 2.1 pt-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.259 -0.274 . . . . 1.0 110.259 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ALA . 10.3 mttt -141.86 156.45 65.61 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.547 1.155 . . . . 1.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.632 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.07 30.56 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.664 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . 78.77 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 1.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . . . -97.79 -5.96 33.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' HG11 ' A' ' 101' ' ' VAL . 74.4 m -77.83 -4.11 44.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 108.322 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.664 ' NE ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -121.29 30.96 6.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 110.326 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 5' ' ' ALA . 1.5 m -138.68 -51.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.419 ' HB3' ' CD2' ' A' ' 105' ' ' HIS . 77.1 p -90.57 -2.31 57.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 1.0 110.003 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -109.87 -3.36 16.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 110.255 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.621 ' OE1' ' CD1' ' A' ' 47' ' ' PHE . 4.1 mt-30 -60.74 -134.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 2.7 t70 -126.63 146.69 57.82 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 1.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.631 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.1 Cg_endo -75.03 81.6 2.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.599 1.842 . . . . 1.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.631 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 98.59 100.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -137.64 -45.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER 88.57 -157.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 18' ' ' ASN . 8.8 t 74.11 42.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 17' ' ' VAL . 4.4 t-20 -31.02 143.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 3.3 t -128.33 44.1 3.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 1.0 108.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.27 -124.41 0.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 1.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HG13 ' A' ' 24' ' ' ILE . 53.0 p90 -174.73 162.99 2.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 1.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 108.59 2.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.58 -1.06 11.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 1.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.972 HG21 ' SG ' ' A' ' 46' ' ' CYS . 6.3 tt -53.76 165.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.771 ' O ' ' N ' ' A' ' 27' ' ' ASP . 8.7 p -135.99 68.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.778 ' O ' ' N ' ' A' ' 29' ' ' CYS . 91.4 p 41.23 -78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.034 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 25' ' ' THR . 11.2 t0 -29.69 -70.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -52.37 -26.35 12.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 1.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.778 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.7 t -96.25 4.94 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -138.6 30.34 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.596 HG22 ' N ' ' A' ' 32' ' ' SER . 18.8 m -129.62 -108.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.596 ' N ' HG22 ' A' ' 31' ' ' THR . 1.1 p -94.76 31.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.03 -96.5 1.71 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.464 1.103 . . . . 1.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.596 ' O ' ' O ' ' A' ' 29' ' ' CYS . 99.3 m -151.83 -156.47 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.276 -1.009 . . . . 1.0 108.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 49' ' ' PRO . 1.6 m -90.83 166.81 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.398 1.061 . . . . 1.0 108.231 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 29.9 t80 -149.37 80.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 23.5 t70 -99.6 98.17 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.702 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 29.8 t -89.97 -8.26 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 1.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.532 ' NE2' ' NE2' ' A' ' 105' ' ' HIS . 3.5 mt-30 -49.53 -17.07 0.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.473 HG12 HG13 ' A' ' 43' ' ' VAL . 85.0 t -110.09 99.76 40.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 139.36 24.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 1.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.45 -34.25 5.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 1.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 HG12 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -95.98 171.49 6.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 1.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 Cg_endo -74.97 120.19 5.97 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.527 1.804 . . . . 1.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.702 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 12.8 m0 -73.97 -44.17 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.972 ' SG ' HG21 ' A' ' 24' ' ' ILE . 49.7 m -86.94 112.53 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.621 ' CD1' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -146.97 -177.44 5.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 1.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.547 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -85.75 133.98 40.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.549 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.5 Cg_endo -74.96 -175.58 2.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 1.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 6.8 mt -135.16 60.85 42.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 -170.37 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.483 1.78 . . . . 1.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.796 ' HB3' ' HB2' ' A' ' 58' ' ' CYS . . . -171.83 -160.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 109.353 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 55' ' ' SER . 25.7 mm100 -28.99 147.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.39 61.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.628 ' N ' ' O ' ' A' ' 53' ' ' GLN . 66.8 m -163.29 107.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 1.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE2' HG21 ' A' ' 101' ' ' VAL . 1.4 tm-20 -58.46 96.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 1.5 pt-20 172.33 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 1.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.796 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 62.6 m -80.59 -37.41 31.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 108.26 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 58' ' ' CYS . 1.1 t -23.95 123.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.606 ' HE1' ' CD2' ' A' ' 96' ' ' PHE . 5.7 ptp 179.65 167.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 4.9 mt-30 -85.57 166.23 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.836 HG11 HG21 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -65.15 -9.57 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -109.76 -1.41 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB3' ' CG ' ' A' ' 60' ' ' MET . . . -83.96 -21.74 31.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 1.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' HG2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -74.06 163.53 27.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HG2' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -143.98 14.0 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 4.0 t-20 59.8 125.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.03 -43.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 108.247 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.72 -152.58 27.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 1.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.656 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -130.76 169.46 13.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 1.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.02 6.3 3.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 1.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.08 -34.62 4.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.576 1.172 . . . . 1.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.661 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.4 tt -54.71 163.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.561 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER -103.57 -178.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 1.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.98 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -71.15 -35.85 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 110.259 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 81' ' ' ARG . 84.0 m-20 -65.31 -49.14 70.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 1.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 52.2 t -53.27 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.8 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.274 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -76.89 -0.72 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.7 mmt-85 -101.84 -52.33 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 110.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.745 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER 148.66 113.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 1.0 109.274 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.745 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.2 m 118.23 164.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 108.394 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.738 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 84.5 m -82.21 163.1 22.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 108.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.656 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 34.6 t80 -142.94 94.45 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -124.43 94.91 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.6 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.0 p-10 -84.08 -4.07 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.939 HG23 HD12 ' A' ' 89' ' ' ILE . 9.2 t -32.17 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -116.13 106.51 49.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.646 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.06 141.56 26.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.646 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 95.64 25.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -149.29 172.97 4.61 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 1.0 109.374 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -74.94 101.29 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.522 1.801 . . . . 1.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.6 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -70.73 -40.84 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.664 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 87.9 m -88.56 94.42 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 108.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.738 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 25.7 p90 -119.24 166.92 12.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 68' ' ' CYS . 6.7 m-85 -81.85 143.03 49.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 1.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 97' ' ' PHE . 18.1 Cg_endo -75.03 106.66 2.32 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.56 1.821 . . . . 1.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.2 mmt -63.88 -94.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.27 -178.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.502 HG23 ' H ' ' A' ' 102' ' ' GLU . 3.1 m -137.38 -111.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 1.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.502 ' H ' HG23 ' A' ' 101' ' ' VAL . 3.9 tt0 51.75 40.37 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 1.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -169.6 29.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' ALA . 1.2 m -102.49 156.5 17.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 108.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 1.4 p-80 -164.05 161.3 22.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 1.0 109.659 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.968 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 16.7 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.281 -0.266 . . . . 1.0 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 103.0 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 1.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . . . -70.52 -144.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -122.07 -37.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 m -68.18 -10.37 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 1.0 108.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.886 ' HD3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -86.23 7.2 26.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 10' ' ' ARG . 1.6 m -136.18 -56.93 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 1.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' A' ' 9' ' ' SER . 5.9 p -51.58 86.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 1.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 72.89 26.14 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.256 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.614 ' NE2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -29.25 -65.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 2.9 t70 -118.17 146.29 38.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.05 61.84 5.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.443 1.759 . . . . 1.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 83.83 101.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 17' ' ' VAL . 5.2 m-20 -114.07 -26.89 7.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.1 7.03 5.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 1.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' NZ ' ' A' ' 48' ' ' LYS . 26.6 t -97.43 142.78 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 20' ' ' GLY . 4.1 t-20 -122.31 149.97 43.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 t -130.39 47.22 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . 174.07 -144.8 7.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.62 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -134.84 162.41 57.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 1.0 111.006 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.73 8.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.19 10.13 24.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.107 . . . . 1.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.017 HG21 ' SG ' ' A' ' 46' ' ' CYS . 5.4 tt -68.2 171.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ASP . 16.1 p -128.82 35.09 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.633 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 24.7 p 65.36 -70.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 1.0 109.94 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 26' ' ' SER . 13.6 m-20 -39.83 -69.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -45.41 -25.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 110.265 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -84.83 -45.08 12.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 1.0 108.328 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' HE2' ' CZ ' ' A' ' 106' ' ' TYR . 4.8 m-85 -69.45 -8.15 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.01 -9.66 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -99.43 15.75 25.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.56 6.91 72.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 1.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' CYS . 38.0 m -112.39 159.54 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -98.14 175.33 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.694 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 17.9 t80 -150.89 83.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 1.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 9.1 t70 -101.77 89.99 3.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.598 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -77.65 -11.8 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 7.2 mt-30 -49.26 -18.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.642 ' CG1' HG22 ' A' ' 43' ' ' VAL . 59.6 t -113.56 90.45 17.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.2 Cg_endo -74.98 3.46 5.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 1.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.2 3.18 37.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.573 1.171 . . . . 1.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.643 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.3 m -146.5 -176.33 0.54 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.643 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.06 120.84 6.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 1.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.598 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 4.5 m0 -67.65 -52.93 32.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 107.977 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 1.017 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.5 m -89.25 113.16 24.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CD1' ' NE2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -141.58 -170.4 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' NZ ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.64 126.7 36.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.522 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.2 Cg_endo -75.0 -171.72 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -129.85 59.68 46.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.4 Cg_endo -74.99 154.59 42.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -147.49 -174.0 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 1.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 55' ' ' SER . 3.7 mt-30 -37.3 158.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.88 59.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 1.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' GLN . 19.0 m -129.24 62.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 98.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 5.2 pt-20 -178.75 -35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.799 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.8 m -82.5 -104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 108.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.886 HG11 ' HD3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER 34.93 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.735 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.6 ptp 178.49 153.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -64.28 166.69 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 1.0 110.358 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.552 HG11 HG11 ' A' ' 92' ' ' VAL . 33.1 t -58.48 -35.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.16 16.19 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -115.67 -10.36 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' O ' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -91.2 12.07 21.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 1.0 110.239 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ARG . 1.2 mttt 28.55 -107.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -178.61 89.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 1.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.605 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 26.3 t -97.46 -80.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 108.331 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -47.88 179.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.63 ' CE1' ' HB ' ' A' ' 73' ' ' ILE . 14.7 p90 -120.74 169.31 9.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 1.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -74.95 79.3 2.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 1.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.553 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 167.24 -28.19 0.17 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 1.0 110.999 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.63 ' HB ' ' CE1' ' A' ' 70' ' ' TYR . 14.3 tt -59.72 160.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 0.749 . . . . 1.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.604 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -111.52 -176.65 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.641 ' HA ' ' CG ' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.93 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.56 1.821 . . . . 1.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.3 mt-10 -61.09 -11.11 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 1.0 110.217 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.533 ' HB3' ' CD ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.0 -54.67 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 1.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 74' ' ' SER . 4.3 t -43.0 -56.14 3.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.082 . . . . 1.0 108.327 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -90.36 25.35 2.26 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -147.61 -50.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 1.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.713 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.5 p30 146.91 118.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 1.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.713 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 83.6 m 110.28 147.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 108.373 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.861 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 5.5 m -78.79 169.94 17.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 1.0 108.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.641 ' CG ' ' HA ' ' A' ' 75' ' ' PRO . 10.5 t80 -145.33 101.6 3.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 88' ' ' THR . 31.3 t -131.81 87.46 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 110.018 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.6 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.1 p-10 -76.07 -2.41 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.784 HG23 HD12 ' A' ' 89' ' ' ILE . 8.4 t -32.17 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.784 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -115.3 107.82 48.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 1.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.6 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.99 137.69 22.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.774 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 1.6 pt-20 93.42 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 1.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.1 m -153.72 178.01 1.76 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -75.02 95.6 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 1.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.6 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.0 m0 -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 1.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.861 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 18.3 m -99.16 127.59 45.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.735 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 1.0 OUTLIER -134.52 -166.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.605 ' CD1' ' SG ' ' A' ' 68' ' ' CYS . 41.3 m-85 -103.22 113.49 65.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 1.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.6 Cg_endo -74.95 107.08 2.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 162.09 -176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 110.947 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.574 ' O ' HG13 ' A' ' 101' ' ' VAL . 3.2 p 67.51 110.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 100' ' ' SER . 5.8 m -156.39 -117.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' H ' HG23 ' A' ' 101' ' ' VAL . 22.6 tt0 33.49 80.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 20.9 p-10 169.01 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 10.2 m -73.85 142.61 46.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.521 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 11.7 p-80 -166.7 -148.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.655 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.636 ' CZ ' ' HE2' ' A' ' 30' ' ' PHE . 10.4 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 1.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.321 -0.251 . . . . 1.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.687 ' NZ ' ' CE2' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -134.59 143.82 48.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -61.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.436 1.756 . . . . 1.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 3' ' ' PRO . . . 162.36 110.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 109.232 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.615 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . . . -53.38 -22.95 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.766 ' SG ' HG12 ' A' ' 101' ' ' VAL . 58.0 m -53.25 -56.98 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 1.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.832 ' HE ' HG13 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -89.37 44.19 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.483 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 33.6 m -149.82 -46.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -83.14 44.28 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 61' ' ' GLN . 5.8 ttt180 177.12 28.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.701 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -51.57 -88.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 110.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.567 ' CB ' ' ND2' ' A' ' 15' ' ' ASN . 6.3 t0 -153.69 144.72 16.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.5 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.628 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 1.5 mtpp 153.86 104.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.567 ' ND2' ' CB ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -128.84 -39.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.44 0.58 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.5 t -103.62 138.6 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 2.5 p30 -138.93 156.96 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 1.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 35.8 t -118.93 38.96 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 1.0 108.283 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.47 -147.22 6.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 1.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -130.07 162.75 52.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.806 . . . . 1.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 1.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.87 8.1 23.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.988 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.5 tt -62.69 169.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.1 p -118.18 25.53 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 110.46 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.692 ' CB ' ' CD2' ' A' ' 36' ' ' PHE . 21.7 p 66.34 -69.0 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' OG ' ' A' ' 26' ' ' SER . 26.2 m-20 -41.33 -66.34 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -48.31 -23.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.535 ' SG ' HD13 ' A' ' 24' ' ' ILE . 1.8 t -84.68 -38.61 19.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 1.0 108.376 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 7.8 m-85 -71.8 -17.46 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.96 -5.69 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 1.0 110.347 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -96.4 20.9 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.069 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.54 6.11 53.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m -115.09 177.79 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.6 m -118.32 172.11 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 108.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CB ' ' A' ' 26' ' ' SER . 19.4 t80 -147.67 98.05 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 1.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 14.4 t70 -120.18 92.32 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.702 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 48.1 t -84.68 -6.33 59.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 1.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -49.6 -17.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.0 110.231 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 43' ' ' VAL . 73.7 t -112.7 95.63 33.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.209 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 138.58 23.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 1.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.05 59.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 1.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -128.25 177.33 2.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.97 120.61 6.15 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 1.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.702 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 16.3 m0 -77.44 -49.49 14.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.031 -1.1 . . . . 1.0 108.031 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.988 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.07 115.2 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 1.0 108.281 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.701 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -136.68 -166.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.666 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.62 117.28 51.1 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.0 Cg_endo -75.09 -177.59 3.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.483 1.78 . . . . 1.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.996 HD21 ' OE1' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -125.61 69.56 63.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 1.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.596 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.03 141.0 26.02 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 1.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -119.26 -177.0 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' ALA . 8.5 mt-30 -39.6 164.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 1.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -59.94 -6.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 53' ' ' GLN . 35.4 m -53.41 -38.17 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 1.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 45.27 52.03 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 1.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.33 -32.14 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 1.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.63 ' O ' ' O ' ' A' ' 59' ' ' VAL . 88.3 m -83.64 -94.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.832 HG13 ' HE ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER 51.54 121.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.723 ' HG2' ' HB1' ' A' ' 64' ' ' ALA . 1.1 mtm 158.18 138.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.996 ' OE1' HD21 ' A' ' 50' ' ' LEU . 6.4 mm-40 -85.81 166.84 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 1.0 110.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 89' ' ' ILE . 20.6 m -56.89 -16.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.67 10.57 40.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 1.0 110.029 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.723 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -114.09 -29.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.524 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.79 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -156.23 -68.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 1.5 t-20 149.93 108.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 2.3 t -122.21 -75.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 108.315 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 95' ' ' CYS . . . -57.46 -170.27 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 1.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD1' ' HB ' ' A' ' 73' ' ' ILE . 6.8 p90 -124.06 165.54 23.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 1.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 86.16 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 1.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.495 ' HA3' ' CE2' ' A' ' 70' ' ' TYR . . . 157.42 -23.81 0.44 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.73 HG21 ' SG ' ' A' ' 95' ' ' CYS . 5.1 tt -54.21 175.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.754 . . . . 1.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -122.21 179.91 0.9 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.95 -57.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 1.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -76.07 -12.38 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 1.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -90.29 -48.35 7.2 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.522 ' HA ' HD11 ' A' ' 73' ' ' ILE . 54.1 t -52.43 -62.04 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -43.02 76.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 1.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -80.5 8.42 7.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.642 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.4 mmm180 -114.33 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 1.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.735 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER 144.13 113.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.735 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 96.1 m 117.19 153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 30.8 m -72.05 164.03 26.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 1.0 108.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 36.7 t80 -141.15 99.35 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.3 t -121.4 94.88 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 110.03 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.645 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 3.1 p-10 -90.26 -4.12 57.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 1.008 HG23 HD12 ' A' ' 89' ' ' ILE . 9.0 t -33.92 -34.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 1.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.008 HD12 HG23 ' A' ' 88' ' ' THR . 0.8 OUTLIER -119.48 111.36 36.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.93 138.65 23.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.418 1.747 . . . . 1.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.1 mt-10 93.93 34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 89' ' ' ILE . 2.1 m -152.95 172.24 5.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.97 89.72 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 1.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.645 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 38.1 m0 -59.86 -38.62 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 1.0 108.021 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.73 ' SG ' HG21 ' A' ' 73' ' ' ILE . 88.1 m -93.8 103.31 15.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.654 ' CD2' ' HE3' ' A' ' 60' ' ' MET . 7.8 p90 -121.01 -170.63 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 74.9 m-85 -95.94 158.1 34.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 1.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' MET . 18.4 Cg_endo -74.99 -9.6 20.86 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.479 1.779 . . . . 1.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PRO . 0.2 OUTLIER 37.31 -150.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 101' ' ' VAL . 7.0 t -142.29 177.17 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.766 HG12 ' SG ' ' A' ' 6' ' ' CYS . 5.0 m -111.74 -116.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 17.4 pt-20 33.98 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 1.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER 153.95 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 6.3 m -55.81 -80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.574 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 2.4 p80 54.52 154.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.687 ' CE2' ' NZ ' ' A' ' 2' ' ' LYS . 99.1 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' OH ' ' A' ' 106' ' ' TYR . 2.2 tmtm? -117.84 103.47 50.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 1.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 18.4 Cg_endo -74.99 -154.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.64 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . -97.65 -137.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.379 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 104' ' ' CYS . . . -133.95 -44.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -47.89 -34.93 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 108.362 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.733 ' CZ ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.01 27.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 110.35 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.9 m -149.79 -50.58 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 p -88.72 22.24 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 1.0 110.063 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -157.59 24.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 1.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.517 ' OE1' ' CG ' ' A' ' 47' ' ' PHE . 4.5 mt-30 -60.81 -141.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.537 ' CG ' ' CG ' ' A' ' 15' ' ' ASN . 3.5 t70 -99.06 147.01 32.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -75.01 68.12 5.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mttt 80.39 101.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.3 m-20 -123.36 -26.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 89.57 27.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 1.0 110.315 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.546 HG23 ' HB3' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -103.22 133.89 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 5.9 p30 -129.36 147.87 51.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -139.57 43.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.41 -141.67 3.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CE2' HD12 ' A' ' 24' ' ' ILE . 54.3 p90 -137.85 159.65 67.87 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.52 2.94 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 1.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.9 3.66 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.075 . . . . 1.0 111.036 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.673 HG21 ' SG ' ' A' ' 46' ' ' CYS . 10.0 tt -61.8 166.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 1.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.613 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 11.6 p -107.3 -52.92 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 1.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 2.8 p 156.12 -67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.37 -56.16 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -54.38 -25.97 27.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -83.78 -31.94 25.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 108.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 3.4 m-85 -81.1 -10.41 59.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -104.2 -9.99 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.73 7.88 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 1.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.9 14.79 80.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 1.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 73.3 m -115.25 -177.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -120.2 174.82 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 1.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' CE2' ' O ' ' A' ' 25' ' ' THR . 2.5 t80 -150.46 136.06 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.67 ' OD2' ' HB2' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -129.06 -77.44 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.824 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 32.9 t 79.34 -18.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 1.0 109.962 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.67 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 7.1 mt-30 -44.17 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 1.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 HG22 ' A' ' 43' ' ' VAL . 71.5 t -116.07 125.74 28.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.32 32.75 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 1.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 81.77 -68.28 3.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 1.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.558 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 2.6 m -45.04 169.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.04 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.591 1.837 . . . . 1.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.824 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 27.2 m0 -68.55 -50.24 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.673 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.61 129.33 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 1.0 108.276 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CG ' ' OE1' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -147.32 -166.98 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -108.99 139.42 20.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.241 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.666 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.5 Cg_endo -74.97 173.64 14.15 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 1.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 pp -122.29 59.94 12.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.1 Cg_endo -75.04 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.455 1.766 . . . . 1.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.37 131.07 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 63.45 166.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 110.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -4.73 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.64 161.21 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' C ' ' HG2' ' A' ' 57' ' ' GLU . 95.2 mt-10 -133.23 101.73 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HG2' ' C ' ' A' ' 56' ' ' GLU . 3.7 pt-20 170.04 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.4 m -81.72 3.95 23.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.733 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 1.7 t -75.53 131.25 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.8 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 6.4 ptp 176.29 156.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 11' ' ' GLN . 1.2 mt-30 -79.84 166.5 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.807 HG12 HG11 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -53.08 -19.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 1.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -100.66 48.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.8 ' HB3' ' HG3' ' A' ' 60' ' ' MET . . . -148.62 -38.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.674 ' NH1' HG12 ' A' ' 62' ' ' VAL . 5.3 ptt180 -48.27 -172.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 1.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 11.3 mtpp -143.57 -91.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 2.4 m-80 156.67 89.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 25.1 t -110.24 -94.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . -38.86 168.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.554 1.159 . . . . 1.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -110.1 172.99 3.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 1.0 111.007 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.5 Cg_endo -74.98 49.01 2.13 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.454 1.765 . . . . 1.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.25 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.647 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.2 tt -44.97 161.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 0.765 . . . . 1.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -105.65 -177.34 0.49 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.635 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -75.03 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.1 mt-10 -61.1 -12.28 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 1.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.724 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -89.7 -53.09 4.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 1.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.563 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 43.3 t -48.09 -59.74 3.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.33 83.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 1.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -84.77 9.57 13.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 1.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -114.84 -45.9 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.711 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 7.9 p30 147.69 114.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 84.4 m 108.97 157.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.79 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 73.4 m -78.56 162.06 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 32.6 t80 -139.76 100.7 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.743 ' OG ' HG22 ' A' ' 88' ' ' THR . 41.0 t -128.34 85.0 2.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 1.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.742 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 6.1 p-10 -70.43 -13.35 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.378 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.743 HG22 ' OG ' ' A' ' 86' ' ' SER . 8.8 t -34.97 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.825 ' O ' HG22 ' A' ' 92' ' ' VAL . 3.4 mm -108.21 99.66 32.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.722 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.92 126.36 9.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 1.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.722 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 6.5 pt-20 109.68 15.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 89' ' ' ILE . 4.4 m -137.57 167.63 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 1.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.742 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 23.7 m0 -48.04 -37.76 15.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 107.988 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.79 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 99.0 m -91.23 88.37 6.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.383 1.052 . . . . 1.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.671 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 9.0 p90 -112.29 173.64 6.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 1.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 68' ' ' CYS . 72.1 m-85 -96.38 123.24 55.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 1.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.483 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.03 107.9 2.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 1.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.55 ' O ' ' CB ' ' A' ' 100' ' ' SER . 1.4 tmt? 171.76 144.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.2 m 155.6 158.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 1.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -30.44 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.7 ' H ' HG23 ' A' ' 101' ' ' VAL . 1.1 pt-20 93.55 23.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.368 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' CYS . 7.6 m-20 -61.57 -4.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.739 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.9 m -37.95 141.29 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 108.264 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.619 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 4.9 p-80 -139.4 -147.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 105' ' ' HIS . 8.4 m-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.32 -0.252 . . . . 1.0 110.32 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 8.9 mttt -73.33 140.08 79.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.719 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.05 -40.85 0.76 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 1.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.761 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . 159.74 -34.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.867 ' HA ' ' CE1' ' A' ' 106' ' ' TYR . . . 92.27 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 1.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 96.0 m -61.11 -15.55 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.666 ' CG ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -114.7 39.64 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.928 ' HB2' ' HE1' ' A' ' 106' ' ' TYR . 4.2 m -150.27 -61.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' ' 104' ' ' CYS . 86.1 p -66.49 -26.98 67.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 1.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -104.14 20.9 17.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 12.0 mm-40 -58.3 -108.29 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.493 1.12 . . . . 1.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' LYS . 9.5 t70 -152.28 145.92 17.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 1.0 109.381 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.01 27.6 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.483 1.78 . . . . 1.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.6 mttm 158.22 87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 4.4 m-20 -132.1 2.93 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.748 ' HG3' HG23 ' A' ' 17' ' ' VAL . 11.3 ptp180 43.48 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.748 HG23 ' HG3' ' A' ' 16' ' ' ARG . 4.8 t 85.29 132.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 1.0 109.346 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 15.3 p-10 -131.78 147.77 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 41.3 t -138.66 61.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.22 -135.41 1.92 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.466 1.104 . . . . 1.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.67 ' CE1' HD12 ' A' ' 24' ' ' ILE . 51.7 p90 -154.05 162.07 27.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 1.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 107.49 2.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.428 1.751 . . . . 1.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.5 5.11 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 1.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.67 HD12 ' CE1' ' A' ' 21' ' ' PHE . 5.9 tt -59.19 170.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.9 p -114.74 -55.28 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 4.2 p 158.5 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 -58.58 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -52.86 -27.66 19.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 1.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.7 t -84.68 -30.22 24.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.868 ' CZ ' ' CD2' ' A' ' 106' ' ' TYR . 24.0 m-85 -89.09 0.18 56.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.407 1.067 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.2 m -106.18 -12.11 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -98.45 13.89 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.24 0.96 79.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -94.91 176.38 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 20.8 m -117.21 172.71 7.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 30.4 t80 -151.76 85.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.1 t70 -108.78 97.0 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.621 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 2.2 m -90.64 18.25 6.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.968 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.02 -14.72 17.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HG22 ' A' ' 43' ' ' VAL . 54.1 t -125.79 128.05 24.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.34 37.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 1.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 43' ' ' VAL . . . 77.84 -69.12 2.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.443 1.089 . . . . 1.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.545 HG22 HG12 ' A' ' 40' ' ' VAL . 2.8 m -42.39 164.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -75.01 117.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 1.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 15.4 m0 -78.31 -44.72 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.647 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -88.43 111.82 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -142.14 -157.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.705 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.15 137.72 23.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 1.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.499 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.1 Cg_endo -75.04 -173.09 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 1.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' H ' ' HB3' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -132.21 64.52 72.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 109.226 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.02 143.58 29.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 1.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 51' ' ' PRO . . . 176.17 47.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 12.3 mt-30 -161.14 140.42 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 1.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.13 52.08 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 m -165.57 -161.79 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -155.54 66.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 1.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -177.19 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 1.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.6 m -83.8 5.55 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 108.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.666 HG11 ' CG ' ' A' ' 7' ' ' ARG . 1.9 t -86.7 134.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.674 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 3.7 ptt? 179.25 179.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.678 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -78.33 149.66 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.595 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -43.01 -58.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 1.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 p -49.56 -31.23 10.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -67.68 -9.4 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.595 ' CD ' ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -70.56 172.34 8.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 110.334 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -172.02 103.2 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 1.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 66' ' ' LYS . 14.9 p-10 -37.63 120.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 97' ' ' PHE . 42.4 t -127.87 -3.72 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 1.0 108.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 82' ' ' ASN . . . -155.94 -155.02 7.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 1.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.699 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -122.59 160.06 50.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.995 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.11 -4.1 56.62 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.516 1.135 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.599 ' HB ' ' CD2' ' A' ' 70' ' ' TYR . 1.1 tt -81.15 165.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 0.744 . . . . 1.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -94.26 175.66 2.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 1.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.631 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -91.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 1.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.3 mm-40 -41.91 -29.35 0.21 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 1.0 110.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 4.7 m-20 -72.72 -45.43 58.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.762 ' O ' ' N ' ' A' ' 82' ' ' ASN . 5.4 t -52.91 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 108.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -43.42 -35.38 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.067 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' O ' ' CG ' ' A' ' 81' ' ' ARG . . . -95.09 35.11 1.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.599 ' N ' ' O ' ' A' ' 78' ' ' CYS . 44.3 mtt-85 -168.94 -38.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.762 ' N ' ' O ' ' A' ' 78' ' ' CYS . 1.7 m-80 -117.5 -110.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 60.4 m -135.27 -161.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 76.0 m -49.54 146.79 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.631 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 42.4 t80 -127.93 94.18 3.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.569 ' OG ' HG22 ' A' ' 88' ' ' THR . 11.7 t -123.99 100.0 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 1.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.627 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 4.7 p-10 -85.93 -9.37 57.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.721 HG23 HD12 ' A' ' 89' ' ' ILE . 2.6 t -31.28 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 1.0 110.451 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.802 ' O ' HG22 ' A' ' 92' ' ' VAL . 1.1 mp -108.75 109.81 61.21 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -74.94 143.9 29.84 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.583 1.833 . . . . 1.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 12.4 mm-40 88.21 29.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 1.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 89' ' ' ILE . 3.1 m -145.6 166.13 18.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 80.91 2.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.42 1.748 . . . . 1.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.627 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.2 m0 -45.23 -37.4 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.558 ' SG ' HG21 ' A' ' 73' ' ' ILE . 87.1 m -90.9 83.48 5.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 1.0 108.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CE2' ' HE3' ' A' ' 60' ' ' MET . 38.9 p90 -114.16 158.93 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 68' ' ' CYS . 72.6 m-85 -68.62 150.61 97.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -7.76 19.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 1.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.472 ' SD ' ' CE ' ' A' ' 66' ' ' LYS . 6.0 tpt 45.59 -130.74 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t -137.14 156.7 48.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 1.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.494 HG23 ' H ' ' A' ' 102' ' ' GLU . 12.1 m -125.82 -119.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 101' ' ' VAL . 9.3 tt0 36.26 33.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 1.0 110.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.4 t0 -147.43 18.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.47 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 31.7 m -84.65 -82.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 1.0 108.341 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 106' ' ' TYR . 4.0 p-80 38.11 -153.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0 109.594 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.928 ' HE1' ' HB2' ' A' ' 8' ' ' CYS . 16.5 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.327 -0.249 . . . . 1.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -40.07 100.3 0.21 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.98 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 1.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.802 ' HB3' ' CD ' ' A' ' 7' ' ' ARG . . . 172.12 132.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 109.242 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -62.14 -22.0 65.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 109.371 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 37.9 m -56.12 -21.36 21.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 1.0 108.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.872 ' HG2' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -122.57 36.0 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 4' ' ' ALA . 3.1 m -149.85 -70.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.4 ' HA ' ' OD2' ' A' ' 37' ' ' ASP . 54.1 p -57.57 -27.43 62.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 30.93 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' A' ' 50' ' ' LEU . 2.0 tp-100 -71.07 -125.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.473 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 3.9 t0 -142.82 138.68 16.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 1.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 45.96 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 1.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER 159.55 102.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -132.9 -43.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . 1.4 mpp_? 61.2 58.13 2.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 1.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG11 ' HE3' ' A' ' 48' ' ' LYS . 2.9 t -150.54 39.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.484 ' OD1' ' CB ' ' A' ' 44' ' ' PRO . 5.8 t30 -35.25 149.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 1.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.75 35.0 3.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 108.325 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.91 -145.68 4.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 1.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.756 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -126.9 162.89 44.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 1.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -0.95 10.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.01 11.83 29.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 1.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.959 HG21 ' SG ' ' A' ' 46' ' ' CYS . 2.4 tt -69.91 177.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.9 p -125.73 -56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 5.8 p 161.97 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 110.083 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.7 -57.68 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 1.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -53.68 -26.47 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 110.297 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -82.72 -37.05 25.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 1.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 1.222 ' CD1' ' CE2' ' A' ' 106' ' ' TYR . 13.0 m-85 -80.36 -1.09 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m -120.34 -6.31 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -95.05 12.77 27.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 1.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.76 12.5 84.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' CYS . 67.5 m -121.9 179.38 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -116.67 172.08 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 1.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 16.4 t80 -149.44 98.01 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 1.2 t70 -119.25 100.53 7.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 1.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.59 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 1.3 m -93.35 27.42 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -68.57 -13.37 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 1.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.579 HG12 HG22 ' A' ' 43' ' ' VAL . 48.2 t -126.79 126.79 24.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.6 27.89 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.93 -70.33 2.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 1.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 40' ' ' VAL . 3.0 m -43.21 164.4 0.13 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.552 0.795 . . . . 1.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.484 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . 18.2 Cg_endo -74.97 117.86 5.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 1.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 11.6 m0 -77.52 -41.35 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 1.0 107.965 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.959 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.5 m -89.14 109.75 20.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 1.0 108.245 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -138.44 -164.56 1.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -105.07 134.32 19.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 1.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.489 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -75.0 173.99 13.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 1.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -125.21 68.38 57.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.489 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.03 168.28 25.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 1.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.4 132.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 1.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 53' ' ' GLN . 2.0 mp0 59.29 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 1.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -73.3 -3.62 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 1.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.15 133.66 40.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 56.7 mt-10 -120.51 80.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 9.3 pt-20 166.34 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' SD ' ' A' ' 60' ' ' MET . 79.4 m -84.84 9.96 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 108.318 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.872 HG11 ' HG2' ' A' ' 7' ' ' ARG . 1.2 t -90.37 137.29 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.211 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.674 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -179.23 176.58 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 1.0 111.089 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 3.1 mt-30 -76.68 158.9 30.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.706 ' CG1' HD13 ' A' ' 89' ' ' ILE . 17.2 m -55.04 -35.3 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -76.39 -21.8 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 1.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -70.86 -43.85 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.505 ' HG2' ' CG ' ' A' ' 60' ' ' MET . 0.3 OUTLIER -66.48 135.21 53.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 110.248 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' PRO . 0.3 OUTLIER -93.93 -107.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.49 93.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 8.7 t -123.56 67.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.03 -172.26 34.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -120.32 160.49 43.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 1.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.53 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.485 1.782 . . . . 1.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ILE . . . -162.73 -38.77 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 1.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 95' ' ' CYS . 13.1 tt -39.67 159.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.527 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -103.38 179.21 1.0 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.901 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.6 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.99 -62.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 1.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.63 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 9.9 mt-10 -71.04 -8.61 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 4.1 m-20 -90.41 -52.85 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.611 ' HA ' HD11 ' A' ' 73' ' ' ILE . 14.1 t -52.66 -59.97 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 108.335 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -42.98 74.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 1.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.23 12.08 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.055 . . . . 1.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.613 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 5.0 mmt85 -120.33 -48.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 1.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER 145.79 114.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.723 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 113.45 150.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 108.28 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 72.9 m -71.45 165.16 24.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 1.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 20.5 t80 -142.69 104.55 4.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -127.57 84.73 2.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 110.065 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 88' ' ' THR . 17.8 p-10 -71.97 -4.76 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 1.0 109.298 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.615 HG23 HD12 ' A' ' 89' ' ' ILE . 3.6 t -22.96 -46.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 1.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.974 HG23 ' HD2' ' A' ' 90' ' ' PRO . 1.5 mp -114.13 150.86 44.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 1.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.974 ' HD2' HG23 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 1.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 1.042 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.0 pt-20 -47.91 75.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 1.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.042 HG13 ' O ' ' A' ' 91' ' ' GLU . 6.1 m -171.31 161.82 5.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 18.6 Cg_endo -74.97 84.8 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 29.8 m0 -48.25 -36.96 14.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 73' ' ' ILE . 94.8 m -101.93 126.04 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.674 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 6.7 p90 -139.52 -171.11 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 111.058 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 68' ' ' CYS . 78.9 m-85 -103.45 133.42 20.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 99' ' ' MET . 18.1 Cg_endo -75.03 169.11 23.32 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.557 ' CB ' ' O ' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 85.5 -14.17 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 1.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.883 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -66.76 64.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.394 1.059 . . . . 1.0 109.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -171.44 -98.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 45.32 25.04 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' VAL . 0.9 OUTLIER -139.95 14.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -82.64 124.23 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 108.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.545 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 21.0 p-80 -144.36 173.7 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 109.644 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 1.222 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 3.8 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.568 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 1.1 mttt -98.2 157.66 34.07 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 1.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.555 1.818 . . . . 1.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 1.185 ' CA ' ' OH ' ' A' ' 106' ' ' TYR . . . -175.32 -167.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 105' ' ' HIS . . . -131.19 -24.35 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.46 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 74.5 m -73.68 -3.17 26.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 108.308 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.88 ' HG2' HG11 ' A' ' 59' ' ' VAL . 9.4 mtt85 -125.06 22.29 7.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.7 m -151.46 -41.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.332 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.78 -58.77 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 1.0 110.032 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -86.56 15.2 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 1.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.1 pt20 -60.77 -159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.325 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 3.4 t70 -82.89 146.03 51.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.07 80.99 2.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 1.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.617 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 97.9 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 1.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -132.69 3.99 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.37 -153.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 1.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.73 HG12 ' NZ ' ' A' ' 48' ' ' LYS . 2.6 t 65.86 132.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 1.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 23.9 t-20 -126.31 132.59 51.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 48' ' ' LYS . 52.5 t -129.24 65.52 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 108.363 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.06 -133.27 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.41 1.069 . . . . 1.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 52.8 p90 -166.95 163.0 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 1.0 110.997 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 107.18 2.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.99 4.24 10.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.437 1.086 . . . . 1.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.896 HG21 ' SG ' ' A' ' 46' ' ' CYS . 6.5 tt -59.03 166.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 1.0 109.238 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.5 p -128.93 39.89 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.609 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 25.1 p 63.77 -69.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 1.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.2 t70 -38.44 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -44.57 -23.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 1.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 t -88.34 -42.93 11.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 108.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' PHE . 7.5 m-85 -82.71 5.97 19.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.6 m -116.25 -12.61 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.36 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.2 p -100.27 7.23 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.32 14.32 66.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 1.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 m -109.96 160.5 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m -100.79 174.09 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 108.247 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 8.1 t80 -149.8 107.38 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 5.4 t70 -132.93 92.33 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.676 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 3.0 m -88.82 43.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.95 -13.1 59.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.799 ' CG1' HG13 ' A' ' 43' ' ' VAL . 13.2 t -135.47 111.91 10.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 109.218 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 1.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -115.45 4.37 21.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 1.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.799 HG13 ' CG1' ' A' ' 40' ' ' VAL . 4.0 m -137.79 169.78 12.15 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.437 0.727 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 121.71 6.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 1.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 3.7 m0 -77.18 -41.96 39.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.963 -1.125 . . . . 1.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.896 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -87.27 109.74 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 108.265 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CZ ' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -147.39 -153.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.73 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -121.29 154.57 58.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.513 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -75.06 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 1.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.898 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.37 71.04 24.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 1.0 109.231 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.3 Cg_endo -75.01 -171.57 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 1.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.31 153.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 53.83 173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -10.07 25.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.84 174.84 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 110.052 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.515 ' O ' ' NH2' ' A' ' 7' ' ' ARG . 37.7 tp10 -124.69 -6.69 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.191 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -107.6 11.96 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -87.38 9.66 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 108.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 50' ' ' LEU . 1.6 t -76.92 126.2 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.604 ' HE3' ' CE2' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -170.93 119.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 63' ' ' SER . 2.3 mp0 -64.77 161.02 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 110.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.0 m -57.82 79.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.5 m 157.72 -25.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 1.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.579 ' HB1' ' HG2' ' A' ' 60' ' ' MET . . . -82.63 -26.12 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 96' ' ' PHE . 19.3 mtt180 -68.51 110.8 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.582 ' HE2' ' CD2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -86.37 18.39 3.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 1.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 50.1 t30 57.67 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.647 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 44.8 t -159.63 162.43 35.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.19 -149.37 48.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.605 1.19 . . . . 1.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CE2' ' N ' ' A' ' 73' ' ' ILE . 34.6 p90 -123.18 162.97 36.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 79.87 2.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 1.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.11 -28.45 0.2 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.489 1.118 . . . . 1.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.559 ' N ' ' CE2' ' A' ' 70' ' ' TYR . 9.5 tt -44.81 161.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 1.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -113.42 -177.16 0.42 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 1.0 109.989 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.2 Cg_endo -74.99 -73.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -47.54 -21.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.3 m-20 -91.57 -35.08 14.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 74' ' ' SER . 3.6 t -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.81 88.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . . . -61.49 -16.65 49.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.597 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -98.15 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 110.36 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 81' ' ' ARG . 8.1 m-20 148.01 55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 82' ' ' ASN . 93.8 m -160.98 146.96 14.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 108.399 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.85 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 81.2 m -83.13 132.81 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 108.372 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.65 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 9.3 t80 -118.22 105.8 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.53 ' OG ' HG22 ' A' ' 88' ' ' THR . 35.4 t -131.07 78.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.605 ' HA ' ' CD1' ' A' ' 94' ' ' TRP . 1.4 p-10 -69.67 -5.75 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.849 HG23 HD12 ' A' ' 89' ' ' ILE . 10.7 t -36.12 -31.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.849 HD12 HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -121.15 106.32 38.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.6 Cg_endo -74.95 143.99 29.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 1.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.8 mm-40 92.59 26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 1.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -152.03 171.34 6.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.94 103.47 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.605 ' CD1' ' HA ' ' A' ' 87' ' ' ASP . 36.5 m0 -69.3 -45.96 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 108.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.85 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 16.4 m -89.95 100.89 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 108.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 5.0 p90 -122.26 -171.07 2.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 1.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.647 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 45.6 m-85 -106.17 144.26 28.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 1.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.2 ttm -94.84 159.72 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.9 t -98.91 165.31 11.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 1.0 109.937 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.45 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 2.2 m -59.73 -111.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 14.0 pt-20 43.17 73.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 1.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 1.3 p30 153.83 -26.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.456 ' SG ' ' OD1' ' A' ' 103' ' ' ASP . 1.8 m -100.17 159.22 15.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 108.247 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.469 ' N ' ' HB1' ' A' ' 5' ' ' ALA . 21.1 p80 -162.02 159.38 26.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.616 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 1.185 ' OH ' ' CA ' ' A' ' 4' ' ' ALA . 55.2 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 1.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.271 -0.27 . . . . 1.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 4.8 mttp -40.38 130.58 1.71 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.414 1.071 . . . . 1.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.798 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.95 165.2 31.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 1.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.744 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . . . -50.44 141.61 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 1.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -81.97 1.08 37.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.22 -2.56 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.01 ' HG2' HG11 ' A' ' 59' ' ' VAL . 2.2 mtp180 -119.97 -3.71 10.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 1.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.885 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.0 m -106.87 -37.4 6.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 1.0 108.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 8' ' ' CYS . 34.0 p -29.23 74.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.885 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.5 ttp-105 39.96 25.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 1.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.725 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 7.8 mp0 29.23 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 110.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.733 ' OD1' ' ND2' ' A' ' 15' ' ' ASN . 9.6 t70 -133.66 148.27 67.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.619 ' HD2' ' OD1' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -74.97 93.58 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 1.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.607 ' C ' ' ND2' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 95.21 68.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 1.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.733 ' ND2' ' OD1' ' A' ' 12' ' ' ASP . 6.1 m-80 -162.93 -40.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 1.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -40.04 115.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 1.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' O ' ' A' ' 18' ' ' ASN . 3.3 t -106.88 28.31 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.534 ' O ' ' O ' ' A' ' 17' ' ' VAL . 1.4 t-20 55.48 152.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 1.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 51.4 t -140.79 12.47 2.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.57 -140.36 3.3 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 24' ' ' ILE . 1.6 p90 -122.54 161.21 44.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 1.0 110.975 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 108.91 2.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 1.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.49 -15.29 8.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 21' ' ' PHE . 11.9 tt -41.82 159.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 0.797 . . . . 1.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.523 ' OG1' ' N ' ' A' ' 26' ' ' SER . 43.2 p -93.72 -104.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 1.0 110.357 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 61.7 p -149.47 -68.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 1.0 109.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -41.7 -61.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -51.3 -28.38 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 1.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' SER . 14.9 t -84.07 -37.09 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.861 ' CE1' ' HD2' ' A' ' 106' ' ' TYR . 7.7 m-85 -90.13 30.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 32' ' ' SER . 87.2 m -76.62 21.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER 78.54 0.96 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.957 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.81 -50.39 1.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.568 1.167 . . . . 1.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 37.5 m -130.45 175.83 8.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' SG ' ' HG2' ' A' ' 3' ' ' PRO . 1.5 m -112.64 164.34 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 108.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.573 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 40.3 t80 -144.67 103.88 3.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.673 ' OD1' ' C ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -98.4 -61.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.597 1.186 . . . . 1.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.665 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.2 72.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 1.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.0 mt-30 -131.53 -4.01 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.809 ' CG1' HG22 ' A' ' 43' ' ' VAL . 15.4 t -127.3 117.21 21.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 85.26 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.468 1.773 . . . . 1.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.58 -61.55 0.34 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.576 1.172 . . . . 1.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.809 HG22 ' CG1' ' A' ' 40' ' ' VAL . 29.2 m -63.24 169.91 3.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.453 0.737 . . . . 1.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.682 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.91 115.9 4.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.788 . . . . 1.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 30.9 m0 -68.03 -47.48 68.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 1.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 24' ' ' ILE . 2.5 m -87.51 106.47 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.648 ' CE1' ' OE1' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -126.78 -169.75 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.647 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -79.5 149.16 71.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.736 ' O ' ' N ' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -75.01 50.25 2.48 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD12 ' CG ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER 2.45 65.46 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.736 ' N ' ' O ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.97 177.35 8.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 1.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . -162.11 -157.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 1.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' O ' ' O ' ' A' ' 52' ' ' ALA . 20.5 mm100 -37.44 161.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 1.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -52.64 -14.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 53' ' ' GLN . 7.3 m -66.81 175.35 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.2 mt-10 -148.66 77.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 1.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.6 pt-20 163.58 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 60.2 m -83.01 3.03 31.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 108.336 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 1.01 HG11 ' HG2' ' A' ' 7' ' ' ARG . 1.5 t -75.06 117.85 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.623 ' CE ' ' CD2' ' A' ' 96' ' ' PHE . 31.8 mtm -157.16 171.08 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.542 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 2.8 mt-30 -83.16 160.1 21.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.957 HG12 HG21 ' A' ' 89' ' ' ILE . 3.0 m -48.08 -51.97 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.505 ' N ' ' CG2' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -63.12 -24.82 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 109.98 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -72.26 -56.29 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' CZ ' ' O ' ' A' ' 60' ' ' MET . 1.6 mtt180 -55.5 119.01 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' PRO . 6.5 tptt -78.96 -111.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 5.9 t-20 -169.07 123.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' CYS . 42.9 t -121.01 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 1.0 108.352 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.28 -152.72 0.27 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.538 1.149 . . . . 1.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 19.1 p90 -123.79 160.81 49.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.4 0.706 . . . . 1.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 1.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.24 -15.0 2.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.793 HG21 ' SG ' ' A' ' 95' ' ' CYS . 4.2 tt -61.25 165.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 109.353 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.622 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER -117.78 -175.57 0.33 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 74' ' ' SER . 18.5 Cg_endo -74.93 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 1.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 66.38 -58.13 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 1.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 28.4 m-20 -66.99 -26.64 66.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.64 ' SG ' ' CD1' ' A' ' 85' ' ' PHE . 35.2 t -69.16 -71.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 83' ' ' CYS . . . -49.0 -31.7 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.551 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -44.07 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.551 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -147.22 46.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.336 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.601 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 12.5 m120 -138.4 17.56 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.659 ' SG ' ' CD1' ' A' ' 97' ' ' PHE . 25.6 m 73.75 -165.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 68.7 m -59.27 162.22 4.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 1.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' ' SG ' ' A' ' 78' ' ' CYS . 11.2 t80 -142.64 105.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.564 ' OG ' HG22 ' A' ' 88' ' ' THR . 33.2 t -131.84 88.61 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.667 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -73.59 -8.97 58.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.564 HG22 ' OG ' ' A' ' 86' ' ' SER . 10.1 t -34.93 -34.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.957 HG21 HG12 ' A' ' 62' ' ' VAL . 4.2 mm -106.82 101.68 38.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 1.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.08 140.21 24.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 1.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.476 ' C ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 mt-10 85.06 32.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.661 ' CG1' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -153.23 179.1 1.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.31 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.02 106.33 2.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.667 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 46.2 m0 -75.12 -40.98 59.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.793 ' SG ' HG21 ' A' ' 73' ' ' ILE . 75.2 m -91.11 93.97 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.623 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 30.8 p90 -115.24 167.52 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 1.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.659 ' CD1' ' SG ' ' A' ' 83' ' ' CYS . 68.9 m-85 -85.05 142.47 38.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 18.1 Cg_endo -75.04 -8.02 19.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 1.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.3 ptt? -75.26 149.92 38.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 99' ' ' MET . 2.1 p 153.17 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 1.0 109.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.598 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -35.58 -90.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 2.9 mm-40 94.77 12.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.0 p-10 -101.65 17.68 22.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ASP . 3.1 m -39.56 151.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.751 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -142.34 165.37 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.596 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.861 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 39.6 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 2' ' ' LYS . 9.5 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.329 -0.248 . . . . 1.0 110.329 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 1' ' ' GLU . 6.7 tttt 68.22 92.2 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 1.0 109.274 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -74.96 -179.47 5.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 1.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 106' ' ' TYR . . . -59.92 -117.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -158.07 -42.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 1.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.8 m -54.49 -16.93 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 1.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.6 ptm180 -102.69 22.72 13.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 9' ' ' SER . 1.8 m -150.59 -39.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 108.267 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 57.6 p -52.76 -114.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 109.957 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.612 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -75.8 -0.99 22.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.612 ' C ' ' O ' ' A' ' 10' ' ' ARG . 52.3 mt-30 19.67 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 1.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -128.79 153.07 79.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -75.0 74.8 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 1.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 3.8 ttpp 89.11 91.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 2.9 m-20 -130.69 -0.26 4.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.824 ' HG3' HG23 ' A' ' 17' ' ' VAL . 2.7 ptp180 39.4 -148.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.824 HG23 ' HG3' ' A' ' 16' ' ' ARG . 75.8 t 76.34 143.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -130.04 145.54 51.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 1.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.6 t -137.53 50.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 108.351 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.42 -138.79 2.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 1.0 111.031 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 24' ' ' ILE . 44.8 p90 -150.46 163.46 24.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 1.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -74.99 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 1.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.85 6.19 12.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.965 HG21 ' SG ' ' A' ' 46' ' ' CYS . 4.0 tt -60.19 176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 1.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 18.6 p -121.26 -54.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 2.9 p 158.16 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.2 m-20 -43.91 -56.09 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -56.1 -26.61 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.4 t -83.72 -30.03 27.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 108.353 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 36' ' ' PHE . 4.1 m-85 -88.87 -10.81 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.2 m -104.05 -7.98 19.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 1.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -94.23 16.25 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 15.25 80.22 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.8 m -115.25 167.48 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.6 m -103.47 164.51 11.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 108.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 38' ' ' SER . 2.6 t80 -149.91 143.39 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -127.89 -84.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.705 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 4.7 p 91.84 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.397 1.061 . . . . 1.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 11.6 mt-30 -46.48 -17.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.684 ' CG1' HG13 ' A' ' 43' ' ' VAL . 86.5 t -111.28 93.45 18.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.5 Cg_endo -74.95 5.21 4.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.418 1.746 . . . . 1.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.9 1.27 35.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 1.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.684 HG13 ' CG1' ' A' ' 40' ' ' VAL . 1.4 m -143.75 179.01 1.26 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.0 Cg_endo -75.05 121.73 6.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.705 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 4.7 m0 -65.93 -51.9 54.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.499 1.124 . . . . 1.0 108.03 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.965 ' SG ' HG21 ' A' ' 24' ' ' ILE . 4.4 m -87.71 121.92 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -151.77 -167.54 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.5 168.57 9.37 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.98 154.84 42.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 1.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.683 ' N ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -81.22 -41.55 1.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.99 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 27.0 mm100 67.4 167.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 110.325 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.2 59.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLN . 3.9 p -84.38 -91.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' ' NH1' ' A' ' 7' ' ' ARG . 11.0 mt-10 75.12 30.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' CG ' ' C ' ' A' ' 56' ' ' GLU . 3.1 mt-10 -155.31 -39.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 88.2 m -84.18 8.91 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 108.308 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.592 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 2.0 t -76.24 118.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 1.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.716 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -161.61 135.95 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 63' ' ' SER . 33.2 mt-30 -80.07 165.85 22.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.165 . . . . 1.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 62' ' ' VAL . 14.5 p -58.54 79.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' GLN . 1.3 m 157.83 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 1.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 60' ' ' MET . . . -85.08 -17.01 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 96' ' ' PHE . 1.5 mmt-85 -58.42 -156.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -168.55 31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' A' ' 66' ' ' LYS . 39.2 m-80 31.73 93.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.679 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 1.8 t -120.44 -162.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 45.2 -172.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.663 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 51.5 p90 -127.77 165.77 27.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 1.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.1 Cg_endo -75.0 76.72 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 1.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 168.41 -28.81 0.15 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 1.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.4 tt -57.79 165.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.567 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -129.88 -178.17 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 1.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -74.91 164.73 32.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 1.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.4 mt-10 70.16 -44.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 81' ' ' ARG . 2.0 m-20 -75.63 -57.31 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 30.0 t -43.41 -52.29 6.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.0 108.318 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.72 87.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -90.08 23.6 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 77' ' ' ASP . 17.7 mmm180 -136.99 -43.24 0.57 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 5.1 p30 153.1 114.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 1.0 109.338 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 48.3 m 100.83 145.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 1.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.665 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 97.0 m -73.65 168.83 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 1.0 108.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 11.6 t80 -143.56 108.35 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.6 t -137.22 87.26 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.631 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 2.9 p-10 -77.4 -2.64 36.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.892 HG23 HD12 ' A' ' 89' ' ' ILE . 10.5 t -34.18 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.892 HD12 HG23 ' A' ' 88' ' ' THR . 1.6 mt -121.63 128.69 25.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 1.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.5 Cg_endo -74.94 156.31 43.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 1.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER 83.77 -73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 1.0 110.231 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.515 ' CG1' HG23 ' A' ' 62' ' ' VAL . 1.8 m -39.17 164.6 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.98 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.631 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 43.5 m0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.999 -1.112 . . . . 1.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 32.2 m -94.09 104.32 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 108.297 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 7.1 p90 -123.0 -170.48 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 1.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.679 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 5.3 m-85 -102.44 144.89 29.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 97' ' ' PHE . 18.6 Cg_endo -74.95 115.11 4.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.433 1.754 . . . . 1.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.91 87.79 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -44.63 132.46 6.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.017 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -106.16 -101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 1.2 tt0 89.68 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 1.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -36.79 -37.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -55.45 -177.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.752 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.9 p-80 -144.88 -174.96 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 1.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 4' ' ' ALA . 3.2 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 1.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.472 ' H3 ' ' HB2' ' A' ' 32' ' ' SER . 1.1 mp0 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER 62.35 129.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 1.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.65 ' O ' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 174.42 12.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.72 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -37.46 -46.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.276 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . . . 88.47 -10.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' SG ' HG12 ' A' ' 101' ' ' VAL . 1.7 m -87.24 13.47 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.574 ' CD ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -133.67 19.94 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 35' ' ' CYS . 3.7 m -117.66 -51.76 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 1.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 p -89.77 -0.02 57.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' NH1' ' OD2' ' A' ' 103' ' ' ASP . 6.3 tpm_? -103.57 -23.12 13.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 mt-30 -49.83 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.551 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t70 -100.57 148.6 35.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.667 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.0 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 1.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.667 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 104.45 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.543 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 2.8 m-80 -160.54 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -111.69 157.66 20.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 1.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 18' ' ' ASN . 1.5 t -80.01 -175.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.639 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.9 p30 -91.87 156.92 17.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 46' ' ' CYS . 51.0 t -139.83 43.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.5 -147.03 6.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -138.84 166.34 25.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 1.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.37 6.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.592 1.838 . . . . 1.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.68 7.3 20.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 1.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.034 HG21 ' SG ' ' A' ' 46' ' ' CYS . 3.7 tt -62.56 173.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASP . 17.0 p -131.3 39.7 3.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 30' ' ' PHE . 53.7 p 62.73 -71.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 25' ' ' THR . 25.8 m-20 -38.64 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 1.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -46.54 -23.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 1.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.9 t -88.58 -37.65 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 3.4 m-85 -88.36 36.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' SER . 85.6 m -69.02 19.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 30' ' ' PHE . 2.0 t 78.87 -0.81 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.84 -55.66 0.65 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 1.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -105.38 162.0 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 1.3 m -107.4 169.72 8.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 1.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 46.2 t80 -151.73 102.74 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.644 ' C ' ' H ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -96.55 -60.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.718 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER 67.98 -34.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.644 ' H ' ' C ' ' A' ' 37' ' ' ASP . 13.0 mt-30 -48.94 -14.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG12 HG13 ' A' ' 43' ' ' VAL . 97.7 t -107.73 99.16 28.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.3 Cg_endo -74.96 134.69 18.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.429 1.752 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.71 -36.14 4.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.579 ' HB ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -93.07 179.7 1.24 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.477 0.751 . . . . 1.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.96 119.55 5.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.764 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.718 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 36.1 m0 -72.62 -51.44 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.02 -1.104 . . . . 1.0 108.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 1.034 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.8 m -93.32 104.2 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 1.0 108.351 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 45' ' ' TRP . 3.0 p90 -134.4 -166.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.736 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -88.99 161.47 40.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 1.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.547 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.1 Cg_endo -74.95 159.98 40.85 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 1.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -121.65 68.25 22.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.547 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 174.43 12.79 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 1.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . 175.51 38.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 158.4 148.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 1.0 110.322 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.22 2.97 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 1.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 58.5 m -69.07 -53.1 22.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.999 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.687 ' CG ' ' HB2' ' A' ' 4' ' ' ALA . 3.5 tt0 86.81 13.95 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 1.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.09 -22.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.0 m -83.02 1.13 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 108.374 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 7' ' ' ARG . 1.5 t -65.09 123.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.658 ' HE2' ' CE2' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -167.42 150.97 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 1.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 53.9 mt-30 -73.24 160.15 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 1.0 110.317 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 HG11 ' A' ' 92' ' ' VAL . 32.6 m -50.94 -46.93 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 1.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 62' ' ' VAL . 2.5 t -70.15 -23.12 62.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 61' ' ' GLN . . . -68.97 -58.45 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 26.0 mtt180 -50.8 104.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.484 ' HG3' ' CD1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -57.4 -90.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.408 ' H ' ' CG ' ' A' ' 66' ' ' LYS . 5.5 t30 171.21 106.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.7 t -125.25 -157.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 1.0 108.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 43.19 -168.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 1.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.659 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 40.9 p90 -130.63 164.79 39.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 1.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 70' ' ' TYR . 18.3 Cg_endo -75.0 86.58 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.549 1.815 . . . . 1.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.69 -21.29 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 1.0 110.989 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.659 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 3.2 tt -64.18 163.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.607 ' C ' ' CE2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -125.9 -177.37 0.57 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 110.048 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.1 Cg_endo -74.96 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 tt0 67.92 -52.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 1.0 110.274 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.606 ' O ' ' N ' ' A' ' 81' ' ' ARG . 67.4 m-20 -64.38 -59.52 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.431 ' SG ' HD13 ' A' ' 73' ' ' ILE . 8.5 t -45.52 -55.68 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.16 94.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -88.47 19.46 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 77' ' ' ASP . 67.7 mtt-85 -131.74 -42.97 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.658 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER 149.87 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.238 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.658 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 60.8 m 104.41 139.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.614 1.196 . . . . 1.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.612 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 96.8 m -66.45 167.58 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 1.0 108.313 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CE2' ' C ' ' A' ' 74' ' ' SER . 20.0 t80 -142.17 105.62 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -132.92 92.03 2.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 1.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.608 ' O ' ' C ' ' A' ' 88' ' ' THR . 12.3 p-10 -75.05 0.12 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 1.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.608 ' C ' ' O ' ' A' ' 87' ' ' ASP . 3.4 t -19.63 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.752 HG22 HG22 ' A' ' 92' ' ' VAL . 1.2 mp -123.99 146.84 52.32 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 109.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -33.21 4.85 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.86 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -94.16 61.56 2.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.6 1.187 . . . . 1.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 91' ' ' GLU . 17.9 m -165.18 160.08 14.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HG2' ' CB ' ' A' ' 65' ' ' ARG . 18.0 Cg_endo -75.08 80.35 2.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.551 1.816 . . . . 1.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.7 ' NE1' ' O ' ' A' ' 89' ' ' ILE . 32.5 m0 -39.91 -47.01 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 1.0 107.996 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 73' ' ' ILE . 24.0 m -94.83 112.33 24.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 1.0 108.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.658 ' CE2' ' HE2' ' A' ' 60' ' ' MET . 19.5 p90 -135.66 -172.98 3.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 1.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 6.6 m-85 -103.08 158.21 32.22 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 1.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 100' ' ' SER . 18.3 Cg_endo -74.97 -16.02 20.52 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.516 1.798 . . . . 1.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.536 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.0 OUTLIER 58.77 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 99' ' ' MET . 1.4 m 157.11 179.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 1.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 103' ' ' ASP . 2.7 m -99.61 -111.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.7 OUTLIER 57.67 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 101' ' ' VAL . 7.7 t70 -44.76 -31.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 2.7 m -71.58 -77.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.445 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 20.8 p-80 36.87 -156.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.131 . . . . 1.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 1.276 ' CZ ' ' HB2' ' A' ' 5' ' ' ALA . 1.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.481 ' C ' ' CG ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.259 -0.274 . . . . 1.0 110.259 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.481 ' CG ' ' C ' ' A' ' 1' ' ' GLU . 0.3 OUTLIER -154.02 170.63 8.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 1.0 109.359 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.772 ' HG2' ' OH ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -74.91 -77.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.734 ' O ' ' CE2' ' A' ' 106' ' ' TYR . . . -163.35 -103.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . 171.45 -37.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.438 ' N ' ' HB3' ' A' ' 104' ' ' CYS . 62.1 m -57.97 -13.22 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 108.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.834 ' HB3' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -113.41 22.7 13.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.0 110.236 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.15 -66.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 108.244 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 2.3 p -84.73 57.45 4.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 1.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.726 ' O ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER 174.77 -19.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 1.0 110.358 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.726 ' O ' ' O ' ' A' ' 10' ' ' ARG . 14.0 tt0 -43.83 -119.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.535 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 1.9 t70 -152.97 147.81 19.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.772 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.4 Cg_endo -74.97 74.43 3.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.772 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 4.0 ttpp 117.14 91.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.535 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 1.7 m-80 -158.31 -42.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -114.91 169.29 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 1.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' H ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -97.25 178.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 8.6 t-20 -78.06 139.6 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.534 ' HB2' ' HD2' ' A' ' 48' ' ' LYS . 39.5 t -127.43 51.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.86 -150.13 8.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 1.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -127.48 164.03 38.73 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.95 8.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 1.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.94 7.51 23.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 1.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.803 HG21 ' SG ' ' A' ' 46' ' ' CYS . 5.3 tt -65.13 174.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 0.749 . . . . 1.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.0 p -124.29 -51.19 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 1.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 6.8 p 160.23 -72.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -61.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.246 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -51.05 -25.14 4.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 t -85.64 -34.94 21.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 1.0 108.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.862 ' CE1' ' CE1' ' A' ' 106' ' ' TYR . 9.5 m-85 -86.77 2.08 50.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 1.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -109.82 -11.84 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -98.75 14.3 29.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 1.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.31 86.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 1.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 m -101.42 169.88 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 1.7 m -110.05 174.11 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 1.0 108.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 26' ' ' SER . 33.0 t80 -147.35 89.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 1.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.3 t70 -111.1 81.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.63 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -75.97 -13.3 60.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 1.0 109.966 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 4.1 mt-30 -49.81 -17.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.693 ' CG1' HG22 ' A' ' 43' ' ' VAL . 93.7 t -113.66 91.71 21.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.535 1.808 . . . . 1.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.46 3.21 30.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 1.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.693 HG22 ' CG1' ' A' ' 40' ' ' VAL . 1.5 m -145.89 -175.57 0.48 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.654 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.05 124.52 8.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.63 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 5.5 m0 -73.22 -52.94 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 107.991 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.803 ' SG ' HG21 ' A' ' 24' ' ' ILE . 3.8 m -91.91 109.78 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 1.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -142.59 -158.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 111.043 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.722 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -115.31 137.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.4 Cg_endo -74.91 -179.74 5.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.45 1.763 . . . . 1.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.81 ' O ' HG13 ' A' ' 59' ' ' VAL . 1.9 pp -126.92 64.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -74.99 -171.82 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.896 ' HB3' ' CB ' ' A' ' 55' ' ' SER . . . -133.53 -175.31 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.644 ' C ' ' H ' ' A' ' 55' ' ' SER . 1.6 mt-30 -58.05 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 59.04 -4.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 1.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.896 ' CB ' ' HB3' ' A' ' 52' ' ' ALA . 2.2 m -37.19 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 1.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . 11.9 mt-10 64.64 53.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.34 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 5.2 pt-20 164.12 -33.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.475 ' O ' ' HE3' ' A' ' 60' ' ' MET . 71.7 m -85.41 7.28 23.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 1.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' ' 7' ' ' ARG . 4.8 t -68.29 131.52 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.717 ' CE ' ' CE2' ' A' ' 96' ' ' PHE . 7.9 ptp 177.12 149.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' ALA . 1.7 mp0 -80.16 159.83 25.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 1.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 89' ' ' ILE . 7.5 p -49.65 -28.91 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 1.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -91.31 30.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 1.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 60' ' ' MET . . . -126.31 -61.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.55 ' NE ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -36.22 155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 110.26 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -111.9 -92.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.572 ' O ' ' CE2' ' A' ' 97' ' ' PHE . 11.9 t30 173.23 113.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 1.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.5 -84.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 108.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.32 -147.22 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 1.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.689 ' CZ ' HD12 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -122.96 157.03 61.5 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 1.0 111.064 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 83.71 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.5 -26.44 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 1.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.689 HD12 ' CZ ' ' A' ' 70' ' ' TYR . 10.4 tt -46.63 161.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 1.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.543 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -80.67 -179.99 1.67 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.06 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.688 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 18.5 Cg_endo -74.91 -90.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 6.9 pt-20 -46.79 -33.75 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.02 -30.43 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.544 ' HA ' ' OD1' ' A' ' 82' ' ' ASN . 47.6 t -77.52 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.18 . . . . 1.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 78' ' ' CYS . . . -35.99 -34.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.363 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -38.04 -69.19 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.586 ' HG3' ' C ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -149.22 50.25 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 110.344 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.544 ' OD1' ' HA ' ' A' ' 78' ' ' CYS . 15.3 m120 -142.0 28.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' PHE . 9.3 m 72.91 -162.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 1.0 108.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.634 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 63.8 m -66.19 162.82 19.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 1.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 75' ' ' PRO . 47.4 t80 -144.47 94.43 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.472 ' HB3' ' HE1' ' A' ' 96' ' ' PHE . 22.9 t -125.42 100.74 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.579 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -81.35 -3.59 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 1.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.808 HG23 HD12 ' A' ' 89' ' ' ILE . 9.5 t -29.69 -41.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.183 . . . . 1.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.808 HD12 HG23 ' A' ' 88' ' ' THR . 1.2 mp -109.41 106.0 57.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 1.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.598 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.3 Cg_endo -75.0 139.62 24.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.567 1.825 . . . . 1.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.26 30.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 1.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.548 ' CG1' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -152.57 174.99 3.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.55 ' HD2' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.07 95.54 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 1.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 35.1 m0 -61.86 -37.93 86.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 1.0 108.038 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.68 ' SG ' HG21 ' A' ' 73' ' ' ILE . 65.7 m -89.27 94.08 9.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 1.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.717 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 36.5 p90 -116.15 169.25 9.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 67' ' ' ASN . 71.1 m-85 -86.25 153.33 56.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 1.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 1.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.57 87.0 7.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' VAL . 7.3 p -40.95 157.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.472 HG23 ' H ' ' A' ' 102' ' ' GLU . 1.5 m -54.91 -107.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 70.22 -73.1 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -72.42 -14.63 61.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -100.19 136.15 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 108.349 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -161.66 179.27 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 1.0 109.627 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.862 ' CE1' ' CE1' ' A' ' 30' ' ' PHE . 1.6 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 1.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' A' ' 1' ' ' GLU . 1.8 mp0 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.358 -0.238 . . . . 1.0 110.358 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.625 ' CE ' ' CE1' ' A' ' 106' ' ' TYR . 2.0 mmmm 67.08 121.55 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 1.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.706 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -74.95 -34.7 3.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' A' ' 5' ' ' ALA . . . 161.28 -105.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . 161.75 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -69.66 -4.03 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 108.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -121.74 17.11 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 1.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HA ' ' HG3' ' A' ' 11' ' ' GLN . 1.7 m -132.19 -42.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -92.09 -20.39 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 1.0 109.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.548 HH22 ' HB1' ' A' ' 64' ' ' ALA . 4.3 ttt180 -90.69 -22.72 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 110.281 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 7' ' ' ARG . 6.6 mt-30 -46.75 168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.533 ' CG ' ' ND2' ' A' ' 15' ' ' ASN . 6.0 t70 -91.01 145.67 32.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.716 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -75.1 85.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 1.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.716 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 15.3 ttmt 108.32 81.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.533 ' ND2' ' CG ' ' A' ' 12' ' ' ASP . 7.1 m-80 -162.37 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 1.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.624 ' HG3' ' CG ' ' A' ' 47' ' ' PHE . 5.6 mmp_? -57.15 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 18' ' ' ASN . 1.4 t -138.78 32.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 46' ' ' CYS . 1.1 t-20 60.87 142.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 1.0 109.237 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.5 t -140.99 60.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.19 -148.92 13.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.64 ' O ' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -129.07 164.73 37.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 1.0 111.016 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.98 2.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.526 1.803 . . . . 1.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ILE . . . 118.75 -9.62 12.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 1.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 21' ' ' PHE . 8.4 tt -42.96 165.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.587 ' O ' ' C ' ' A' ' 26' ' ' SER . 48.8 p -114.08 124.25 51.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' PHE . 83.2 p -22.86 -71.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' PHE . 98.8 m-20 -37.53 -71.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 1.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' HG2' ' OG1' ' A' ' 25' ' ' THR . 25.8 mm-40 -46.49 -28.51 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.387 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 t -81.94 -32.75 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 106' ' ' TYR . 4.8 m-85 -91.08 35.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 31' ' ' THR . 51.9 m -71.19 14.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 1.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER 79.38 -5.71 1.91 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 1.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.71 -40.71 4.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.1 m -129.87 175.76 8.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 3.8 m -119.38 168.65 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 108.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 18.4 t80 -139.99 95.29 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 15.0 t70 -121.93 88.72 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.689 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 31.4 t -84.76 -11.19 56.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.538 1.149 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 13.1 mt-30 -50.72 -13.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 HG13 ' A' ' 43' ' ' VAL . 87.1 t -111.21 94.15 20.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 39' ' ' GLN . 18.1 Cg_endo -75.03 132.19 15.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 1.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.09 -17.52 34.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG13 HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -116.42 178.1 1.06 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 1.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 119.62 5.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 1.0 111.032 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.689 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 23.6 m0 -73.27 -53.47 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 8.9 m -89.58 107.2 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CG ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -134.0 -166.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 110.965 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -111.5 143.04 27.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.45 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -74.99 157.73 42.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 1.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.759 ' CB ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -52.84 -73.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.759 ' HD3' ' CB ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.97 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 1.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.9 54.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -139.82 142.66 36.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 1.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.67 0.01 19.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m -43.66 -56.33 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 110.048 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.57 81.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 1.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 174.44 -33.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.85 ' O ' ' O ' ' A' ' 59' ' ' VAL . 82.6 m -84.1 -84.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.85 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.9 OUTLIER 26.59 113.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.78 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 4.3 ptp 179.08 138.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 1.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.6 mt-30 -83.82 165.99 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 62' ' ' VAL . 12.3 p -61.01 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t 160.39 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -81.69 -16.82 50.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' C ' ' CD ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 178.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.681 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -129.6 -34.48 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.681 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 26.5 t30 98.36 84.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 1.9 t -120.95 -168.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 108.253 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 68' ' ' CYS . . . 46.57 -176.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 1.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.654 ' CE1' ' N ' ' A' ' 73' ' ' ILE . 44.8 p90 -125.57 164.36 33.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 81.4 2.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 1.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.31 -25.75 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 1.0 111.027 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.654 ' N ' ' CE1' ' A' ' 70' ' ' TYR . 4.6 tt -56.79 160.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 1.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.558 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -97.32 -178.97 0.8 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 1.0 109.971 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -74.99 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.493 1.786 . . . . 1.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -50.7 -33.03 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 1.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -64.58 -53.72 43.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 41.8 t -50.55 -65.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 108.374 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.21 61.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.57 13.73 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.603 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 9.1 mmt180 -121.86 -45.91 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 1.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 10.7 m-20 146.62 113.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.721 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 73.9 m 111.17 143.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.705 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 47.7 m -66.15 164.49 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 75' ' ' PRO . 23.3 t80 -142.79 99.72 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.556 ' OG ' HG22 ' A' ' 88' ' ' THR . 45.7 t -132.1 97.27 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.574 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 1.8 p-10 -82.28 -6.02 58.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 89' ' ' ILE . 5.1 t -31.48 -40.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.804 HD12 HG23 ' A' ' 88' ' ' THR . 1.0 OUTLIER -108.93 103.89 53.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.584 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 18.2 Cg_endo -74.97 140.73 25.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 1.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 90' ' ' PRO . 2.1 pt-20 93.07 28.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.534 ' CG1' HG22 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -152.09 177.11 2.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 1.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 103.49 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 1.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.574 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 40.3 m0 -71.21 -39.4 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 108.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 59.6 m -91.66 93.51 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 108.246 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.744 ' CE2' ' CE ' ' A' ' 60' ' ' MET . 20.2 p90 -113.01 -173.18 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 67.1 m-85 -103.76 162.39 20.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 1.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.01 17.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.823 . . . . 1.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.762 ' HG3' HG22 ' A' ' 101' ' ' VAL . 9.5 ptt? -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.42 ' OG ' ' C ' ' A' ' 99' ' ' MET . 0.0 OUTLIER 61.89 79.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 1.0 109.958 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.762 HG22 ' HG3' ' A' ' 99' ' ' MET . 0.5 OUTLIER -138.01 -93.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.64 ' H ' HG23 ' A' ' 101' ' ' VAL . 4.0 tt0 94.06 -20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 105' ' ' HIS . 99.4 m-20 -71.22 -9.32 57.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' HIS . 11.6 m -41.63 -45.64 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 108.361 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.812 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 1.3 p80 36.99 -154.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.535 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.776 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 53.0 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 2.5 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 8.3 mttt 165.03 125.01 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.0 -70.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 1.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.579 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -178.94 -174.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.854 ' HB1' ' O ' ' A' ' 105' ' ' HIS . . . -112.6 -15.35 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.9 m -76.65 -6.64 52.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 108.27 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HE ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -121.38 30.43 6.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' CA ' ' OE1' ' A' ' 11' ' ' GLN . 2.1 m -147.26 -46.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 108.289 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 20.9 p -88.7 69.32 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.668 ' O ' ' C ' ' A' ' 11' ' ' GLN . 2.0 mmm180 158.43 -23.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 1.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.668 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -10.97 -92.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 15' ' ' ASN . 2.5 t70 -150.99 145.61 18.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -75.04 67.86 5.89 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.492 1.785 . . . . 1.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 89.84 101.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 5.5 m-20 -117.01 -33.17 4.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER 85.27 3.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.435 1.085 . . . . 1.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.96 142.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.483 ' N ' ' ND2' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -130.95 160.37 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.25 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -140.13 55.7 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 108.268 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.76 -122.23 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 1.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.871 ' CE1' HD12 ' A' ' 24' ' ' ILE . 4.5 p90 -161.37 161.42 23.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 1.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 1.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.6 -1.1 11.22 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.871 HD12 ' CE1' ' A' ' 21' ' ' PHE . 3.8 tt -50.25 165.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 22.0 p -108.06 -57.99 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 1.0 110.367 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.8 p 159.93 -67.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -43.62 -55.09 4.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.58 -28.56 55.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 6.4 t -84.16 -38.17 21.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 1.0 108.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 3.4 m-85 -89.31 38.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' THR . 86.0 m -81.54 23.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 110.367 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.469 ' HB3' ' H1 ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER 79.22 2.55 2.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 1.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.38 -61.34 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 1.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' CYS . 37.9 m -114.87 170.1 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 1.0 108.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.551 ' HB3' ' HE1' ' A' ' 47' ' ' PHE . 1.3 m -110.12 169.92 8.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 108.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 26' ' ' SER . 48.5 t80 -151.25 115.64 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -102.29 -60.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.689 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER 59.19 75.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 1.0 110.03 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.492 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 5.1 mt-30 -134.14 -8.53 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.779 ' CG1' HG13 ' A' ' 43' ' ' VAL . 6.8 t -137.68 116.77 9.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 4.18 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 1.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -112.52 4.71 26.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.143 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.779 HG13 ' CG1' ' A' ' 40' ' ' VAL . 3.3 m -139.32 169.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.598 0.822 . . . . 1.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.05 121.33 6.49 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.545 1.813 . . . . 1.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.689 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 21.2 m0 -74.13 -46.61 41.49 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.082 -1.081 . . . . 1.0 108.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.737 ' SG ' HG21 ' A' ' 24' ' ' ILE . 3.5 m -88.49 124.52 34.07 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HE1' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -144.22 -169.97 3.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 110.997 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' CD ' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -104.92 132.63 20.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 1.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.545 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.99 -165.62 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 1.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.912 HD22 ' CG ' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -137.87 56.95 12.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.03 137.9 22.25 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 1.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.641 ' O ' ' CG ' ' A' ' 53' ' ' GLN . . . -165.96 74.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.641 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER 151.41 167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.56 5.57 14.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.445 ' CB ' ' HG2' ' A' ' 57' ' ' GLU . 57.0 m -152.01 153.71 34.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 44.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 110.365 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 55' ' ' SER . 8.5 pt-20 -109.6 -30.23 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' SD ' ' A' ' 60' ' ' MET . 66.8 m -84.44 -74.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.749 ' O ' ' HB2' ' A' ' 60' ' ' MET . 1.5 t 44.05 -147.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.749 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER 78.18 142.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 111.068 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.912 ' CG ' HD22 ' A' ' 50' ' ' LEU . 11.2 mt-30 -86.45 169.75 12.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 1.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.599 ' CG1' HD13 ' A' ' 89' ' ' ILE . 19.7 m -51.18 -32.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 p -97.69 46.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 1.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.36 -45.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 1.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.613 HH12 HG21 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -51.57 128.73 23.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 1.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.491 ' CD ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 tmtp? -111.38 128.33 55.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 1.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LYS . 6.9 p30 -37.49 110.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.619 ' SG ' ' CZ ' ' A' ' 97' ' ' PHE . 7.9 t -132.17 103.79 6.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 108.26 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.29 -150.08 17.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.427 1.08 . . . . 1.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -120.54 153.48 56.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 1.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 8.29 2.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 1.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.99 -16.59 10.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 1.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.529 ' CG2' ' SG ' ' A' ' 95' ' ' CYS . 4.4 tt -59.96 165.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 1.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.4 OUTLIER -127.04 -176.42 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.3 Cg_endo -75.05 169.14 23.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 1.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 tm-20 69.98 -51.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 1.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 81' ' ' ARG . 33.4 m-20 -73.87 -50.64 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 47.6 t -46.22 -39.32 9.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 108.33 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.78 -36.68 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -87.49 20.42 2.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mmp_? -131.2 -48.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.731 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 8.8 m-20 149.79 114.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.731 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 99.6 m 115.65 145.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 108.339 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 9.9 m -70.94 168.46 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 47.7 t80 -143.45 97.86 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 t -128.18 97.43 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.619 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 5.3 p-10 -90.02 -2.11 58.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.929 HG23 HD12 ' A' ' 89' ' ' ILE . 9.8 t -34.92 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.929 HD12 HG23 ' A' ' 88' ' ' THR . 1.1 mp -121.7 129.94 24.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.329 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.0 Cg_endo -75.03 149.39 36.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.544 1.812 . . . . 1.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 1.0 OUTLIER 89.16 -68.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 1.0 110.287 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.613 HG21 HH12 ' A' ' 65' ' ' ARG . 12.2 m -39.48 161.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.446 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.01 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.438 1.757 . . . . 1.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.619 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 36.7 m0 -51.78 -43.54 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 1.0 107.969 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 96.1 m -95.5 108.7 20.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 108.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 84' ' ' CYS . 7.3 p90 -130.55 -172.41 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' ' SG ' ' A' ' 68' ' ' CYS . 80.5 m-85 -97.89 147.29 32.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.95 25.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.53 151.94 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.48 127.31 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 1.0 110.058 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -147.2 -97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 5.7 tt0 88.32 31.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 9.5 p-10 -163.88 31.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 3.3 m -65.42 -58.04 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.854 ' O ' ' HB1' ' A' ' 5' ' ' ALA . 7.8 p-80 54.07 165.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 1.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.5 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 89.4 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 1.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.629 ' NZ ' ' CZ ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -40.15 123.16 1.67 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 1.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.689 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.98 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 1.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.77 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . 162.23 -43.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 1.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.335 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . . . 103.48 -9.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.02 ' SG ' HG12 ' A' ' 101' ' ' VAL . 96.1 m -79.48 -5.36 54.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 1.0 108.366 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.734 ' HG2' HG11 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -134.76 40.86 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 1.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.647 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.3 m -142.67 -41.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 1.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.545 ' C ' ' O ' ' A' ' 8' ' ' CYS . 24.3 p -26.88 87.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.647 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER 41.32 31.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 10' ' ' ARG . 1.6 mm-40 18.63 -94.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.536 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 5.1 t70 -138.35 148.2 58.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.624 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 18.2 Cg_endo -74.96 81.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.791 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 7.9 tttp 97.66 97.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -139.96 -22.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 5.0 ptp85 42.77 78.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG11 ' NZ ' ' A' ' 48' ' ' LYS . 2.0 t -151.31 38.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.493 ' C ' ' O ' ' A' ' 17' ' ' VAL . 12.4 t-20 -33.52 148.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -133.53 16.63 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 108.248 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 18' ' ' ASN . . . -154.19 -135.91 2.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 1.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.759 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -141.14 164.44 35.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 1.0 110.996 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.31 7.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 1.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.11 12.58 16.96 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.49 1.119 . . . . 1.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.016 HG21 ' SG ' ' A' ' 46' ' ' CYS . 2.6 tt -68.37 175.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.404 0.708 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . 11.6 p -141.0 46.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 29' ' ' CYS . 80.5 p 60.64 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 m-20 -38.75 -67.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -48.27 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.305 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.7 t -90.0 -34.84 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 108.26 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CZ ' ' CD1' ' A' ' 106' ' ' TYR . 6.1 m-85 -91.94 8.44 37.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 5.0 m -115.51 -13.48 11.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.463 1.102 . . . . 1.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 p -99.78 9.14 43.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 1.0 110.027 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.43 -4.52 86.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 1.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 95.6 m -85.81 171.75 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 2.1 m -114.86 160.29 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 108.318 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CZ ' ' OG ' ' A' ' 38' ' ' SER . 24.9 t80 -143.51 142.0 30.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 1.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -131.56 -57.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.603 ' HA ' ' CG ' ' A' ' 45' ' ' TRP . 0.2 OUTLIER 51.5 64.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 1.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.498 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 6.4 mt-30 -129.15 -6.25 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 1.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG12 HG22 ' A' ' 43' ' ' VAL . 24.2 t -126.91 123.86 23.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 118.45 5.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 1.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.76 -64.2 0.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 1.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.707 HG22 HG12 ' A' ' 40' ' ' VAL . 10.5 m -54.97 167.17 0.67 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 1.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 43' ' ' VAL . 18.1 Cg_endo -75.02 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 1.0 110.997 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.603 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 37.6 m0 -66.71 -45.44 78.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 1.016 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.7 m -89.3 135.8 33.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -151.33 -167.82 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 111.02 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.503 ' NZ ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -114.12 155.17 45.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.526 ' C ' ' HD3' ' A' ' 51' ' ' PRO . 18.3 Cg_endo -74.96 170.16 21.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 1.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.045 ' O ' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -118.99 72.48 11.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.223 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' C ' ' A' ' 49' ' ' PRO . 18.2 Cg_endo -75.06 149.73 36.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 1.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.71 148.48 26.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' NE2' ' HB1' ' A' ' 79' ' ' ALA . 11.5 mm100 56.58 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.96 -7.12 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 1.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 2.2 t -65.54 -53.03 47.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.631 1.207 . . . . 1.0 110.022 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 55' ' ' SER . 14.9 tt0 88.46 -27.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.82 11.45 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 55' ' ' SER . 77.6 m -86.97 9.81 18.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 1.0 108.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 1.045 HG13 ' O ' ' A' ' 50' ' ' LEU . 2.1 t -72.36 145.8 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.856 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 10.8 ptp 175.74 138.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 63' ' ' SER . 15.8 mt-30 -84.78 166.19 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 110.347 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.848 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -57.64 83.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 2.2 t 156.99 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.856 ' HB3' ' HB2' ' A' ' 60' ' ' MET . . . -81.71 -18.59 43.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.596 ' HD3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.07 -171.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -151.37 -110.44 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -176.79 74.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 109.369 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 35.1 t -111.62 64.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 108.275 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.81 -176.24 35.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.413 1.071 . . . . 1.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.772 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -123.03 162.23 40.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 1.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 1.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.26 -14.89 23.08 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.381 1.051 . . . . 1.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.772 HG22 ' O ' ' A' ' 70' ' ' TYR . 14.2 tt -69.85 165.01 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -106.97 178.41 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.622 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 18.4 Cg_endo -75.0 -61.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.433 1.754 . . . . 1.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 28.5 mt-10 -70.99 -11.2 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' ARG . 1.3 m-20 -87.42 -52.73 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 1.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 73' ' ' ILE . 15.9 t -51.63 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 1.0 108.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' HB1' ' NE2' ' A' ' 53' ' ' GLN . . . -52.81 -43.98 66.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -83.12 12.53 5.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 1.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.654 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 4.5 mmt180 -120.11 -46.16 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.734 ' O ' ' CB ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 142.44 116.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.734 ' CB ' ' O ' ' A' ' 82' ' ' ASN . 74.9 m 115.88 149.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 1.0 108.263 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.709 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 71.2 m -71.92 154.83 40.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' A' ' 75' ' ' PRO . 19.8 t80 -140.19 100.11 3.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.565 1.166 . . . . 1.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.1 t -131.02 92.43 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 110.014 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.605 ' HA ' ' CG ' ' A' ' 94' ' ' TRP . 0.4 OUTLIER -79.44 -1.61 38.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 1.0 109.382 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.931 HG23 HD13 ' A' ' 89' ' ' ILE . 11.9 t -34.17 -34.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.931 HD13 HG23 ' A' ' 88' ' ' THR . 1.2 mp -120.01 109.49 37.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 1.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.639 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 18.4 Cg_endo -74.9 140.49 25.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 1.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.639 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 2.3 mm-40 97.97 21.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.734 HG11 ' CG2' ' A' ' 62' ' ' VAL . 2.5 m -142.29 165.53 26.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.99 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.57 1.826 . . . . 1.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.605 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 20.6 m0 -53.42 -39.04 64.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 108.024 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.696 ' SG ' HG21 ' A' ' 73' ' ' ILE . 92.7 m -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.824 ' CE2' ' HE1' ' A' ' 60' ' ' MET . 14.4 p90 -112.05 -169.95 1.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 1.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 57.5 m-85 -100.05 140.34 21.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 99' ' ' MET . 18.2 Cg_endo -74.99 176.91 9.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.431 1.753 . . . . 1.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 73.21 -165.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 99' ' ' MET . 0.9 OUTLIER 78.6 113.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 1.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.02 HG12 ' SG ' ' A' ' 6' ' ' CYS . 1.9 m -135.0 -103.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER 39.83 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 1.0 110.233 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.79 ' N ' ' O ' ' A' ' 101' ' ' VAL . 14.6 t0 -37.8 -28.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' A' ' 101' ' ' VAL . 4.5 m -60.82 140.64 57.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.587 1.179 . . . . 1.0 108.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -173.17 -179.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 1.335 ' CZ ' ' HB2' ' A' ' 5' ' ' ALA . 47.9 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 1.0 110.989 -179.984 . . . . . . . . 1 1 . 1 stop_ save_