data_1m0g_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 1m0g _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 ' 38' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.8 p -138.41 143.31 38.08 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.54 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 14.88 0.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.759 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -112.78 8.74 18.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 108.332 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.6 m -146.83 160.91 39.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 165.26 31.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.84 60.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.11 -88.1 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.3 t 46.21 98.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -21.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -70.97 -42.39 69.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 29.5 m -88.33 -6.43 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.573 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.99 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -0.91 57.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.23 -96.17 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.052 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.427 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.5 t -174.43 111.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.49 HG21 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -86.45 -1.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 7.9 m -77.19 -10.04 59.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.585 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -27.02 67.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 -88.26 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -107.18 -177.19 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.55 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -47.76 -95.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.55 ' N ' ' CG2' ' A' ' 59' ' ' THR . 7.9 t -179.56 82.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 108.317 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -125.82 -167.2 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.424 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.09 -14.4 3.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 t -104.88 20.59 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.6 t -131.88 -79.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 54' ' ' VAL . 76.8 m -124.02 -25.31 4.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.605 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' C ' ' HA ' ' A' ' 62' ' ' THR . 59.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.8 p -132.82 138.96 33.11 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.571 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -2.83 56.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 19.7 m -134.36 160.42 68.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.6 Cg_endo -74.97 164.36 33.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.66 61.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.95 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.81 -85.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 45' ' ' GLY . 12.9 t 40.37 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -15.14 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.543 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 2.7 mttt -75.29 -44.55 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.485 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.9 m -76.12 -7.23 54.29 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.627 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.33 -20.03 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -12.55 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.63 41.43 0.27 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.485 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.6 t 61.73 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 48' ' ' LYS . 1.4 m -93.0 4.5 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.5 m -92.23 -7.82 47.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.547 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 115.79 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.21 -53.25 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 177.88 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.75 -95.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.554 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER 178.28 82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 108.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -126.71 -169.86 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.09 -14.36 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.71 21.47 17.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 12.8 t -130.26 -79.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.482 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 82.7 m -124.41 -23.53 4.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.536 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' NE2' ' HB2' ' A' ' 65' ' ' CYS . 17.3 mm-40 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -168.55 140.98 2.32 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.584 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.89 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.5 p -120.57 16.31 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 85.3 m -159.39 156.54 25.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.04 23.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -71.38 58.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.03 -88.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.5 t 45.71 97.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -21.04 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -73.06 -42.27 63.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.7 m -85.56 -7.08 59.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.53 -40.24 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.64 1.81 52.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.948 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.78 123.56 2.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.418 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.0 t -47.16 111.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.523 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 1.5 m -88.32 4.63 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' LYS . 4.0 m -84.36 -9.73 58.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.603 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 117.34 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.81 -56.49 0.48 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -103.16 -179.95 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.2 m -79.71 -97.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.554 ' N ' ' CG2' ' A' ' 59' ' ' THR . 2.2 t 179.95 81.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -127.33 -167.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.64 -14.29 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.09 21.19 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.063 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.1 t -131.83 -78.93 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.499 1.124 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 84.4 m -124.5 -25.31 4.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.542 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 33.8 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 10.4 p -137.43 142.62 38.01 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.597 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 0.0 110.986 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.03 8.59 18.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.224 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.1 m -147.13 160.86 38.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 108.389 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -74.87 164.92 32.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -69.3 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 179.41 -88.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 47.8 t 45.4 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -18.54 12.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -73.77 -41.64 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.463 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.9 m -86.31 -5.92 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.602 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.69 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.1 1.7 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.03 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.28 132.34 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -56.98 116.01 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -91.12 2.29 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -82.38 -10.84 58.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.564 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -31.45 72.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 -82.41 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.16 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -101.33 -177.98 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.576 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -58.31 -89.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.576 ' N ' ' CG2' ' A' ' 59' ' ' THR . 1.4 t 179.21 79.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -126.26 -168.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.422 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -57.24 -14.83 4.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.423 ' O ' ' CE ' ' A' ' 58' ' ' LYS . 3.6 t -105.35 20.65 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.038 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.3 t -131.46 -80.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 79.1 m -123.39 -24.29 4.65 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.606 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.422 ' C ' ' HA ' ' A' ' 62' ' ' THR . 55.3 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 3.0 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 28.2 p -137.9 137.08 20.61 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.597 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 3.39 5.66 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 -3.38 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.4 m -133.87 158.42 75.48 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 108.347 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.33 27.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 m -70.3 60.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.04 -88.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 30.2 t 41.61 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -21.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -72.24 -41.38 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.438 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 28.3 m -90.5 -8.7 49.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.588 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.58 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -4.04 55.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.7 -88.83 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 18.7 t -178.08 110.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.557 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 2.2 m -85.47 1.57 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 m -86.54 -8.45 57.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.535 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -26.41 66.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.48 -73.33 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -121.71 -175.72 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.531 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.5 m -48.37 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.531 ' N ' ' CG2' ' A' ' 59' ' ' THR . 8.4 t 179.84 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -125.11 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -56.92 -14.11 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.415 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 3.5 t -104.93 20.54 18.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.484 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 7.2 t -131.86 -79.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.557 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 82.4 m -124.65 -25.56 3.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.591 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 66.9 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.9 p -149.15 143.0 16.51 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.564 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.66 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -114.6 10.54 16.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -149.44 160.92 33.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.97 163.66 34.95 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 p -69.01 63.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.988 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 176.74 -86.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 40.0 t 42.31 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -13.54 16.16 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -76.09 -41.61 49.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.4 m -78.88 -5.65 54.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.565 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.248 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -10.56 59.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.84 42.24 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.567 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.2 t 62.16 112.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 48' ' ' LYS . 1.2 m -90.74 2.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.04 -13.83 30.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.592 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -27.84 6.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.52 -97.62 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.413 1.071 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 177.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.565 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -67.87 -89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.565 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.8 OUTLIER 178.07 82.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -129.42 -168.14 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.412 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.58 -13.97 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -107.43 21.38 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 12.5 t -131.13 -79.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 85.2 m -124.58 -24.23 4.24 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.535 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 36.3 mm-40 . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.1 p -103.03 135.0 19.48 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.563 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.6 4.59 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.29 -26.52 23.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 108.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.468 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 16.0 m -105.63 155.98 37.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.06 164.97 32.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.734 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.5 p -68.92 58.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 46' ' ' CYS . . . -169.47 -90.69 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 45' ' ' GLY . 42.8 t 36.51 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -46.88 -22.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 1.6 mttm -73.13 -41.27 64.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' CYS . 16.0 m -88.91 -7.15 56.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -4.58 42.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.48 -94.0 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.6 t 178.82 105.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 2.2 m -84.6 -0.42 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -11.38 59.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.608 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 114.38 21.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.87 -67.85 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -179.43 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.563 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -64.78 -94.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.352 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.563 ' N ' ' CG2' ' A' ' 59' ' ' THR . 13.3 t 179.33 88.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 108.344 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -130.62 -166.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.39 -13.81 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 t -105.9 19.59 20.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 10.9 t -130.52 -87.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 85.0 m -115.0 -22.28 9.63 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.587 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.427 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 36.4 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 2.1 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.7 p -132.69 138.1 31.26 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.577 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 3.48 5.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -91.65 -3.83 55.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.2 m -133.17 158.94 74.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.07 165.02 32.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -68.58 63.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.41 -85.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.9 t 40.66 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.2 p -52.72 -19.18 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 65' ' ' CYS . 1.6 mttm -73.97 -40.63 62.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 19.1 m -89.15 -7.83 54.89 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.616 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.79 66.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -5.29 49.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.065 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.82 -82.69 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 13.4 t -178.54 113.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -84.94 -2.08 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LYS . 4.1 m -89.02 4.45 48.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -38.17 -81.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.72 57.14 0.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -166.37 165.86 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 3.1 m -80.95 -96.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER 173.35 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 108.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -118.7 -170.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -59.76 -14.02 12.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 t -108.3 21.38 17.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.56 1.162 . . . . 0.0 109.983 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 60' ' ' CYS . 22.1 t -129.43 -78.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.464 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 70.8 m -126.42 -23.01 3.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.623 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 4.6 mm100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.2 p -166.97 142.76 3.57 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.592 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 15.71 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 29.5 p -121.5 17.92 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 71.6 m -160.12 157.67 25.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 167.85 26.14 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.784 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -70.22 57.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.07 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 111.075 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.7 t 51.02 105.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.414 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -61.11 -15.35 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.03 -43.14 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 18.3 m -83.33 -5.41 59.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.619 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -59.26 -37.69 78.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.267 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -6.27 47.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.57 -82.38 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.3 t -179.13 109.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -83.85 1.77 4.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -85.79 -10.9 54.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.561 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 118.95 14.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.03 -51.53 0.9 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -102.05 179.55 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.66 -95.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.2 OUTLIER 178.3 74.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.6 p-10 -118.45 -168.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.502 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -53.87 -19.63 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.44 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -97.87 7.53 46.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 37.0 t -149.15 98.02 2.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.444 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 33.6 m 70.69 -53.56 0.66 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.613 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.515 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 26.7 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.9 p -169.98 140.09 1.64 Allowed Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.601 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 15.62 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' CYS . 23.9 p -119.23 13.05 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.6 m -158.03 155.89 27.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -81.16 50.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -166.04 -90.57 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.165 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 45' ' ' GLY . 48.9 t 43.78 94.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -22.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.71 -41.87 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.1 m -86.37 -6.75 58.86 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.55 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.69 -43.69 58.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.69 0.33 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.21 2.14 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.9 t -46.19 110.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.517 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 2.3 m -84.57 1.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.2 m -84.07 -10.44 57.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.578 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 120.25 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -50.52 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 55' ' ' CYS . 7.3 ptpp? -103.31 -179.43 3.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -85.87 -93.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.542 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER 176.16 79.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.274 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.9 p-10 -123.05 -167.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.466 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -55.71 -17.06 5.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.462 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -99.62 6.04 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 34.8 t -149.04 102.29 3.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.604 1.19 . . . . 0.0 108.306 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 39.2 m 69.3 -52.35 0.6 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.532 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 2.7 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 27.7 p -134.86 138.6 30.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.582 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.42 3.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -95.2 -0.26 53.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.0 m -137.61 160.9 63.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 108.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.37 16.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -74.45 56.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.921 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -176.39 -90.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' O ' ' A' ' 45' ' ' GLY . 32.9 t 48.37 100.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 p -61.63 -15.64 41.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -75.66 -45.57 36.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 6.0 m -76.23 -7.63 55.29 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.542 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.61 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -9.88 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.1 42.74 0.35 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.5 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.3 t 62.63 116.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.555 ' CG1' ' O ' ' A' ' 48' ' ' LYS . 1.2 m -97.75 5.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.8 m -96.13 -9.73 29.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.637 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 143.62 48.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 15.81 59.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 55' ' ' CYS . 4.8 ptmt -165.49 -174.77 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 44.7 m -92.25 -114.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.483 ' HA ' ' CB ' ' A' ' 64' ' ' CYS . 17.1 t 179.29 75.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.529 1.143 . . . . 0.0 108.236 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' CYS . 19.8 p-10 -125.87 -161.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -51.9 -29.08 18.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.4 t -84.67 7.94 18.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.629 1.206 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 1.8 t -125.36 -144.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.258 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.429 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 29.9 m -55.77 -16.76 4.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.562 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 48.5 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.3 p -148.3 143.64 17.73 Favored Pre-proline 0 N--CA 1.45 -0.446 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.52 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -115.13 11.08 16.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.5 m -150.23 161.26 31.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.0 Cg_endo -75.05 163.66 34.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -69.12 61.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.96 -87.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 49.2 t 42.6 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -13.92 15.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 110.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -75.64 -41.72 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.2 m -78.74 -6.19 55.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.577 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.39 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -11.43 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.934 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 125.51 42.35 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.558 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.5 t 62.2 112.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 48' ' ' LYS . 1.2 m -90.92 2.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.55 -12.69 31.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.587 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.98 -22.04 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -104.14 -97.38 2.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -178.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -73.56 -86.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.564 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.06 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 108.352 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -128.37 -169.14 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.37 -13.49 8.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.44 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -108.02 20.44 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 13.9 t -129.24 -78.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.444 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 83.1 m -125.92 -24.35 3.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.611 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 22.9 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.5 p -167.94 139.9 2.46 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.61 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 15.69 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.3 p -119.62 16.13 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.3 m -159.0 156.61 26.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 108.279 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.71 19.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.761 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -72.9 57.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.29 -88.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 44.3 t 46.07 97.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.2 p -51.78 -20.16 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -74.33 -41.65 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 20.6 m -87.9 -8.23 56.08 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.635 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.03 70.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -3.15 52.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.05 -89.56 0.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t -177.78 110.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -84.35 3.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.89 -11.03 48.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.505 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -48.01 66.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.24 -91.66 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 169.11 11.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.583 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -65.97 -85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.583 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.18 78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.256 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -128.01 -167.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.26 -12.86 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -109.19 22.49 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 60' ' ' CYS . 13.7 t -131.07 -79.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.243 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 81.0 m -123.78 -23.54 4.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.612 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 3.1 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.5 p -172.35 140.33 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.562 1.822 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.442 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.3 p -119.55 13.93 12.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 93.8 m -158.0 156.98 29.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.45 22.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -71.05 58.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.55 -88.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 45' ' ' GLY . 41.8 t 48.5 99.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 p -51.48 -20.92 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 1.3 mttp -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.7 m -85.2 -6.72 59.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.592 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.51 71.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.62 -2.91 55.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.76 -88.24 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.417 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.1 t -178.23 108.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.476 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -84.65 3.66 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -84.07 -10.93 57.45 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.551 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -58.95 -43.17 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.62 -82.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -177.07 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.3 m -48.35 -98.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.542 ' N ' ' CG2' ' A' ' 59' ' ' THR . 14.6 t 179.99 83.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -126.19 -166.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -56.7 -14.53 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.15 19.38 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.481 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 9.6 t -131.05 -83.76 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 108.253 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.476 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 71.2 m -119.45 -24.31 6.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.593 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.447 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 63.1 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.708 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.7 p -172.17 139.75 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.649 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.62 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.6 1.842 . . . . 0.0 110.961 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.441 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.7 p -119.45 14.06 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.708 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 97.8 m -158.34 156.6 27.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.31 8.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.81 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 p -78.22 54.03 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -172.46 -89.64 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.2 t 46.46 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.8 -22.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -72.01 -43.53 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.1 m -86.15 -5.92 59.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.565 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.26 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 1.85 48.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.29 125.36 2.33 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.419 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.7 t -48.14 108.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 3.1 m -84.48 2.11 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.01 -11.05 58.44 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.12 -84.68 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -110.82 -177.0 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.566 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.2 m -47.98 -98.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.566 ' N ' ' CG2' ' A' ' 59' ' ' THR . 8.6 t -179.63 83.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -124.8 -165.72 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.418 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -59.48 -12.11 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -107.49 21.54 17.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.508 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 9.4 t -131.31 -79.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.497 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 82.0 m -123.7 -25.63 4.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.599 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.0 mm100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 52' ' ' GLY . 44.8 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -137.83 144.63 45.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.616 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 15.15 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.82 9.42 17.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -147.67 161.18 36.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.0 166.18 29.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -69.28 59.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.4 -87.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' O ' ' A' ' 45' ' ' GLY . 16.8 t 48.6 100.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -21.17 44.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -47.77 47.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.1 m -81.85 -7.19 59.58 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.534 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.82 -32.18 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.16 -0.38 54.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 38' ' ' CYS . . . 148.6 -93.21 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.0 t -171.11 111.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -84.87 0.37 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.11 -11.3 47.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.56 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -31.79 72.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.34 -89.29 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -179.39 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.563 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -57.88 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.563 ' N ' ' CG2' ' A' ' 59' ' ' THR . 2.8 t 179.59 79.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.264 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -120.14 -169.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.409 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -58.13 -13.76 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 21.49 17.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 10.1 t -130.2 -75.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 108.334 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 62.3 m -130.85 -23.69 2.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.641 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 3.6 mm100 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.6 p -134.6 139.16 31.7 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.597 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 3.49 5.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -0.73 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.8 m -136.86 160.6 65.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.5 t -77.82 54.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -175.43 -91.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 45' ' ' GLY . 37.1 t 50.6 101.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -18.34 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -76.06 -42.13 48.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.9 m -89.25 -6.55 56.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.649 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.24 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -1.7 57.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.83 -83.47 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 15.4 t -178.45 114.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -87.58 1.28 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 57' ' ' GLY . 8.2 m -91.31 -5.96 53.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.562 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -22.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 55' ' ' CYS . . . -73.34 -100.56 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -108.63 -173.1 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.68 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.3 m -36.06 -94.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.68 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.8 t 140.86 101.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.64 ' C ' ' H ' ' A' ' 63' ' ' SER . 10.4 p-10 -168.46 107.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 12.2 m 61.76 -39.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.64 ' H ' ' C ' ' A' ' 61' ' ' ASP . 8.0 t -87.62 14.04 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' GLN . 2.6 t -141.83 -143.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.443 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 63.2 m -40.18 -26.8 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.578 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.5 p -172.4 141.62 1.12 Allowed Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.623 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.44 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.4 p -119.52 14.27 12.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.658 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 94.2 m -158.03 157.67 29.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 172.16 16.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -74.17 56.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.929 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -173.81 -89.04 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 45' ' ' GLY . 43.6 t 44.92 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -22.55 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -41.5 70.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 13.6 m -85.95 -7.89 58.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.569 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.56 -42.98 64.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.36 1.27 45.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.05 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.56 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.3 t -47.1 109.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.51 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 1.3 m -84.79 2.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.403 ' HA ' ' SG ' ' A' ' 64' ' ' CYS . 3.8 m -85.06 -11.56 55.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.642 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -21.65 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.39 -72.71 1.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 63' ' ' SER . 6.8 ptpp? -118.82 -179.7 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.557 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -51.1 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.557 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.67 75.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.228 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 7.7 p-10 -119.21 -167.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.56 -23.44 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.371 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.428 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 23.2 t -93.74 9.11 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 34.0 t -152.09 102.22 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.51 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 38.2 m 68.43 -54.01 0.54 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.6 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 17.5 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -133.84 143.95 49.7 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 15.12 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.441 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.74 7.9 18.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.3 m -145.41 158.26 51.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.18 7.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.23 49.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.98 44.05 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' CYS . 31.1 t -95.05 91.07 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -47.83 -23.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -70.5 -38.88 74.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -91.75 -6.88 51.11 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.601 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -3.58 56.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.89 -89.38 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 41.9 t -178.27 111.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.454 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -85.29 1.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 4.1 m -85.33 -10.7 56.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.568 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -63.39 -23.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.43 -90.14 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -94.46 -178.56 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.562 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -56.74 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.562 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.75 77.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 108.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 52.6 p-10 -121.25 -167.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.87 -19.68 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . 5.9 t -97.27 8.21 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.042 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 36.8 t -151.56 100.25 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.454 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 38.5 m 70.56 -54.46 0.64 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.564 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 20.8 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 11.8 p -144.47 142.1 18.9 Favored Pre-proline 0 N--CA 1.449 -0.495 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.597 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.455 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.28 9.7 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 108.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.547 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 22.0 m -148.32 161.37 34.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.224 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -75.07 166.4 29.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -69.61 59.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.78 -91.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 45' ' ' GLY . 53.3 t 53.34 109.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -64.52 -20.5 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -74.11 -44.12 55.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 23.1 m -83.26 -7.17 59.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.568 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.45 74.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.96 2.94 47.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.35 137.81 3.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.3 t -61.13 112.22 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 64' ' ' CYS . 1.4 m -87.26 2.47 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -83.37 -10.16 58.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 123.33 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.57 -68.15 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -129.58 -173.09 2.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 0.721 . . . . 0.0 109.215 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.632 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.6 m -48.97 -101.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.8 t 148.04 90.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.365 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.658 ' C ' ' H ' ' A' ' 63' ' ' SER . 21.4 p-10 -159.9 109.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.412 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 22.2 m 63.6 -36.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.658 ' H ' ' C ' ' A' ' 61' ' ' ASP . 6.1 t -89.77 12.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 3.5 t -140.8 -141.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.409 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 58.6 m -40.6 -26.8 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.515 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.234 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.7 t -125.93 -74.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.8 p -138.41 143.31 38.08 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.54 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 14.88 0.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.759 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -112.78 8.74 18.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 108.332 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.51 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.6 m -146.83 160.91 39.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 165.26 31.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.84 60.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.11 -88.1 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.3 t 46.21 98.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -21.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -70.97 -42.39 69.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 29.5 m -88.33 -6.43 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.573 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.99 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -0.91 57.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.23 -96.17 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.052 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.427 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.5 t -174.43 111.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.49 HG21 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -86.45 -1.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 7.9 m -77.19 -10.04 59.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.585 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -27.02 67.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 -88.26 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -107.18 -177.19 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.55 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -47.76 -95.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.55 ' N ' ' CG2' ' A' ' 59' ' ' THR . 7.9 t -179.56 82.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 108.317 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -125.82 -167.2 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.424 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.09 -14.4 3.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 t -104.88 20.59 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.6 t -131.88 -79.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 54' ' ' VAL . 76.8 m -124.02 -25.31 4.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.605 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' C ' ' HA ' ' A' ' 62' ' ' THR . 59.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 p -47.93 -55.78 9.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.8 p -132.82 138.96 33.11 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.571 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -2.83 56.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 19.7 m -134.36 160.42 68.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.6 Cg_endo -74.97 164.36 33.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.66 61.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.95 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.81 -85.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 45' ' ' GLY . 12.9 t 40.37 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -15.14 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 2.7 mttt -75.29 -44.55 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.485 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.9 m -76.12 -7.23 54.29 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.627 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.33 -20.03 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -12.55 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.63 41.43 0.27 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.485 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.6 t 61.73 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 48' ' ' LYS . 1.4 m -93.0 4.5 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.5 m -92.23 -7.82 47.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.547 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 115.79 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.21 -53.25 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 177.88 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.75 -95.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.554 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER 178.28 82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 108.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -126.71 -169.86 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.09 -14.36 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.71 21.47 17.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 12.8 t -130.26 -79.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.482 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 82.7 m -124.41 -23.53 4.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.536 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' NE2' ' HB2' ' A' ' 65' ' ' CYS . 17.3 mm-40 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.9 t -111.75 -42.05 3.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.251 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -168.55 140.98 2.32 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.584 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.89 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.5 p -120.57 16.31 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 85.3 m -159.39 156.54 25.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.04 23.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -71.38 58.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.03 -88.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.5 t 45.71 97.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -21.04 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -73.06 -42.27 63.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.7 m -85.56 -7.08 59.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.53 -40.24 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.64 1.81 52.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.948 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.78 123.56 2.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.418 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.0 t -47.16 111.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.523 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 1.5 m -88.32 4.63 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' LYS . 4.0 m -84.36 -9.73 58.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.603 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 117.34 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.81 -56.49 0.48 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -103.16 -179.95 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.2 m -79.71 -97.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.554 ' N ' ' CG2' ' A' ' 59' ' ' THR . 2.2 t 179.95 81.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -127.33 -167.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.64 -14.29 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.09 21.19 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.063 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.1 t -131.83 -78.93 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.499 1.124 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 84.4 m -124.5 -25.31 4.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.542 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 33.8 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.5 t -128.13 -74.74 0.57 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 108.25 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 10.4 p -137.43 142.62 38.01 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.597 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 0.0 110.986 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.03 8.59 18.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.224 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.1 m -147.13 160.86 38.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 108.389 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -74.87 164.92 32.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -69.3 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 179.41 -88.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 47.8 t 45.4 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -18.54 12.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -73.77 -41.64 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.463 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.9 m -86.31 -5.92 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.602 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.69 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.1 1.7 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.03 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.28 132.34 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -56.98 116.01 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -91.12 2.29 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -82.38 -10.84 58.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.564 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -31.45 72.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 -82.41 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.16 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -101.33 -177.98 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.576 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -58.31 -89.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.576 ' N ' ' CG2' ' A' ' 59' ' ' THR . 1.4 t 179.21 79.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -126.26 -168.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.422 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -57.24 -14.83 4.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.423 ' O ' ' CE ' ' A' ' 58' ' ' LYS . 3.6 t -105.35 20.65 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.038 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.3 t -131.46 -80.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 79.1 m -123.39 -24.29 4.65 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.606 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.422 ' C ' ' HA ' ' A' ' 62' ' ' THR . 55.3 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 3.0 p -87.44 -53.44 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 28.2 p -137.9 137.08 20.61 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.597 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 3.39 5.66 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 -3.38 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.4 m -133.87 158.42 75.48 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 108.347 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.33 27.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 m -70.3 60.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.04 -88.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 30.2 t 41.61 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -21.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -72.24 -41.38 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.429 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 28.3 m -90.5 -8.7 49.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.588 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.58 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -4.04 55.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.7 -88.83 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 18.7 t -178.08 110.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.557 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 2.2 m -85.47 1.57 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 m -86.54 -8.45 57.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.535 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -26.41 66.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.48 -73.33 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -121.71 -175.72 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.531 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.5 m -48.37 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.531 ' N ' ' CG2' ' A' ' 59' ' ' THR . 8.4 t 179.84 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -125.11 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -56.92 -14.11 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.415 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 3.5 t -104.93 20.54 18.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.484 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 7.2 t -131.86 -79.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.557 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 82.4 m -124.65 -25.56 3.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.591 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 66.9 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.2 t -158.41 -73.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 108.402 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.9 p -149.15 143.0 16.51 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.564 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.66 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -114.6 10.54 16.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.54 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -149.44 160.92 33.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.97 163.66 34.95 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 p -69.01 63.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.988 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 176.74 -86.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 40.0 t 42.31 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -13.54 16.16 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -76.09 -41.61 49.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.4 m -78.88 -5.65 54.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.565 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.248 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -10.56 59.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.84 42.24 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.567 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.2 t 62.16 112.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 48' ' ' LYS . 1.2 m -90.74 2.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.04 -13.83 30.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.592 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -27.84 6.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.52 -97.62 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.413 1.071 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 177.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.565 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -67.87 -89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.565 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.8 OUTLIER 178.07 82.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -129.42 -168.14 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.412 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.58 -13.97 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -107.43 21.38 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 12.5 t -131.13 -79.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 85.2 m -124.58 -24.23 4.24 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.535 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 36.3 mm-40 . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -110.56 -75.66 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 108.295 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.1 p -103.03 135.0 19.48 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.563 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.6 4.59 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.29 -26.52 23.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 108.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 16.0 m -105.63 155.98 37.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.06 164.97 32.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.734 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.5 p -68.92 58.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 46' ' ' CYS . . . -169.47 -90.69 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 45' ' ' GLY . 42.8 t 36.51 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -46.88 -22.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 1.6 mttm -73.13 -41.27 64.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' CYS . 16.0 m -88.91 -7.15 56.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -4.58 42.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.48 -94.0 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.6 t 178.82 105.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 2.2 m -84.6 -0.42 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -11.38 59.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.608 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 114.38 21.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.87 -67.85 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -179.43 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.563 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -64.78 -94.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.352 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.563 ' N ' ' CG2' ' A' ' 59' ' ' THR . 13.3 t 179.33 88.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 108.344 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -130.62 -166.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.39 -13.81 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 t -105.9 19.59 20.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 10.9 t -130.52 -87.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 85.0 m -115.0 -22.28 9.63 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.587 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.427 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 36.4 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 2.1 p -105.38 -55.61 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.362 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.7 p -132.69 138.1 31.26 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.577 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 3.48 5.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -91.65 -3.83 55.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.2 m -133.17 158.94 74.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.07 165.02 32.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -68.58 63.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.41 -85.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.9 t 40.66 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.2 p -52.72 -19.18 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 65' ' ' CYS . 1.6 mttm -73.97 -40.63 62.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 19.1 m -89.15 -7.83 54.89 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.616 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.79 66.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -5.29 49.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.065 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.82 -82.69 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 13.4 t -178.54 113.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -84.94 -2.08 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LYS . 4.1 m -89.02 4.45 48.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -38.17 -81.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.72 57.14 0.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -166.37 165.86 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 3.1 m -80.95 -96.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER 173.35 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 108.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -118.7 -170.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -59.76 -14.02 12.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 t -108.3 21.38 17.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.56 1.162 . . . . 0.0 109.983 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 60' ' ' CYS . 22.1 t -129.43 -78.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.464 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 70.8 m -126.42 -23.01 3.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.623 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 4.6 mm100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t -75.93 -39.24 56.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.125 . . . . 0.0 108.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.663 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.2 p -166.97 142.76 3.57 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.592 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 15.71 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 29.5 p -121.5 17.92 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.663 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 71.6 m -160.12 157.67 25.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 167.85 26.14 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.784 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -70.22 57.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.07 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 111.075 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.7 t 51.02 105.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.414 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -61.11 -15.35 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.03 -43.14 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 18.3 m -83.33 -5.41 59.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.619 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -59.26 -37.69 78.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.267 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -6.27 47.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.57 -82.38 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.3 t -179.13 109.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -83.85 1.77 4.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -85.79 -10.9 54.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.561 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 118.95 14.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.03 -51.53 0.9 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -102.05 179.55 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.66 -95.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.2 OUTLIER 178.3 74.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.6 p-10 -118.45 -168.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.502 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -53.87 -19.63 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.44 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -97.87 7.53 46.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 37.0 t -149.15 98.02 2.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.444 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 33.6 m 70.69 -53.56 0.66 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.613 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.515 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 26.7 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.7 t -165.4 -45.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.406 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.9 p -169.98 140.09 1.64 Allowed Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.601 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 15.62 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' CYS . 23.9 p -119.23 13.05 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.6 m -158.03 155.89 27.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -81.16 50.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -166.04 -90.57 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.165 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 45' ' ' GLY . 48.9 t 43.78 94.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -22.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.71 -41.87 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.1 m -86.37 -6.75 58.86 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.55 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.69 -43.69 58.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.69 0.33 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.21 2.14 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.9 t -46.19 110.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.517 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 2.3 m -84.57 1.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.2 m -84.07 -10.44 57.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.578 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 120.25 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -50.52 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 55' ' ' CYS . 7.3 ptpp? -103.31 -179.43 3.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -85.87 -93.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER 176.16 79.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.274 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.9 p-10 -123.05 -167.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.466 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -55.71 -17.06 5.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.462 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -99.62 6.04 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 34.8 t -149.04 102.29 3.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.604 1.19 . . . . 0.0 108.306 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 39.2 m 69.3 -52.35 0.6 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.532 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 2.7 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -134.75 -55.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 27.7 p -134.86 138.6 30.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.582 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.42 3.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -95.2 -0.26 53.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.0 m -137.61 160.9 63.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 108.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.37 16.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -74.45 56.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.921 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -176.39 -90.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' O ' ' A' ' 45' ' ' GLY . 32.9 t 48.37 100.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 p -61.63 -15.64 41.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -75.66 -45.57 36.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 6.0 m -76.23 -7.63 55.29 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.542 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.61 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -9.88 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.1 42.74 0.35 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.5 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.3 t 62.63 116.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.555 ' CG1' ' O ' ' A' ' 48' ' ' LYS . 1.2 m -97.75 5.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.8 m -96.13 -9.73 29.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.637 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 143.62 48.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 15.81 59.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 55' ' ' CYS . 4.8 ptmt -165.49 -174.77 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 44.7 m -92.25 -114.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.483 ' HA ' ' CB ' ' A' ' 64' ' ' CYS . 17.1 t 179.29 75.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.529 1.143 . . . . 0.0 108.236 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' CYS . 19.8 p-10 -125.87 -161.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -51.9 -29.08 18.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.4 t -84.67 7.94 18.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.629 1.206 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 1.8 t -125.36 -144.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.258 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.429 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 29.9 m -55.77 -16.76 4.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.562 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 48.5 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 t -148.76 -73.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.257 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.3 p -148.3 143.64 17.73 Favored Pre-proline 0 N--CA 1.45 -0.446 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.52 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -115.13 11.08 16.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.5 m -150.23 161.26 31.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.0 Cg_endo -75.05 163.66 34.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -69.12 61.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.96 -87.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 49.2 t 42.6 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -13.92 15.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 110.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -75.64 -41.72 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.2 m -78.74 -6.19 55.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.577 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.39 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -11.43 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.934 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 125.51 42.35 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.558 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.5 t 62.2 112.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 48' ' ' LYS . 1.2 m -90.92 2.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.55 -12.69 31.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.587 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.98 -22.04 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -104.14 -97.38 2.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -178.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -73.56 -86.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.564 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.06 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 108.352 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -128.37 -169.14 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.37 -13.49 8.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.44 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -108.02 20.44 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 13.9 t -129.24 -78.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.444 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 83.1 m -125.92 -24.35 3.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.611 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 22.9 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t -165.25 -45.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 108.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.5 p -167.94 139.9 2.46 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.61 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 15.69 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.3 p -119.62 16.13 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.3 m -159.0 156.61 26.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 108.279 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.71 19.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.761 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -72.9 57.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.29 -88.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 44.3 t 46.07 97.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.2 p -51.78 -20.16 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -74.33 -41.65 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 20.6 m -87.9 -8.23 56.08 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.635 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.03 70.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -3.15 52.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.05 -89.56 0.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t -177.78 110.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -84.35 3.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.89 -11.03 48.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.505 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -48.01 66.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.24 -91.66 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 169.11 11.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.583 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -65.97 -85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.583 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.18 78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.256 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -128.01 -167.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.26 -12.86 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -109.19 22.49 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 60' ' ' CYS . 13.7 t -131.07 -79.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.243 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 81.0 m -123.78 -23.54 4.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.612 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 3.1 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.4 t -101.06 -38.39 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 108.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.5 p -172.35 140.33 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.562 1.822 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.442 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.3 p -119.55 13.93 12.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 93.8 m -158.0 156.98 29.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.45 22.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -71.05 58.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.55 -88.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 45' ' ' GLY . 41.8 t 48.5 99.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 p -51.48 -20.92 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 1.3 mttp -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.7 m -85.2 -6.72 59.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.592 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.51 71.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.62 -2.91 55.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.76 -88.24 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.1 t -178.23 108.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -84.65 3.66 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -84.07 -10.93 57.45 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.551 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -58.95 -43.17 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.62 -82.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -177.07 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.3 m -48.35 -98.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' N ' ' CG2' ' A' ' 59' ' ' THR . 14.6 t 179.99 83.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -126.19 -166.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -56.7 -14.53 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.15 19.38 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.481 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 9.6 t -131.05 -83.76 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 108.253 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.476 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 71.2 m -119.45 -24.31 6.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.593 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.447 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 63.1 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.9 t -165.32 -45.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 108.33 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.7 p -172.17 139.75 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.649 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.62 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.6 1.842 . . . . 0.0 110.961 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.441 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.7 p -119.45 14.06 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.707 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 97.8 m -158.34 156.6 27.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.31 8.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.81 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 p -78.22 54.03 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -172.46 -89.64 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.2 t 46.46 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.8 -22.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -72.01 -43.53 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.1 m -86.15 -5.92 59.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.565 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.26 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 1.85 48.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.29 125.36 2.33 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.419 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.7 t -48.14 108.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 3.1 m -84.48 2.11 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.01 -11.05 58.44 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.12 -84.68 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -110.82 -177.0 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.566 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.2 m -47.98 -98.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.566 ' N ' ' CG2' ' A' ' 59' ' ' THR . 8.6 t -179.63 83.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -124.8 -165.72 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.418 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -59.48 -12.11 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -107.49 21.54 17.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.508 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 9.4 t -131.31 -79.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.497 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 82.0 m -123.7 -25.63 4.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.599 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.0 mm100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 52' ' ' GLY . 44.8 t -52.4 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -137.83 144.63 45.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.616 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 15.15 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.82 9.42 17.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -147.67 161.18 36.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.0 166.18 29.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -69.28 59.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.4 -87.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' O ' ' A' ' 45' ' ' GLY . 16.8 t 48.6 100.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -21.17 44.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -47.77 47.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.1 m -81.85 -7.19 59.58 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.534 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.82 -32.18 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.16 -0.38 54.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 38' ' ' CYS . . . 148.6 -93.21 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.0 t -171.11 111.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -84.87 0.37 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.11 -11.3 47.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.56 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -31.79 72.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.34 -89.29 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -179.39 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.563 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -57.88 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.563 ' N ' ' CG2' ' A' ' 59' ' ' THR . 2.8 t 179.59 79.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.264 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -120.14 -169.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.409 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -58.13 -13.76 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 21.49 17.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 10.1 t -130.2 -75.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 108.334 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 62.3 m -130.85 -23.69 2.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.641 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 3.6 mm100 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.22 -54.55 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.6 p -134.6 139.16 31.7 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.597 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 3.49 5.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -0.73 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.8 m -136.86 160.6 65.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.5 t -77.82 54.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -175.43 -91.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 45' ' ' GLY . 37.1 t 50.6 101.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -18.34 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -76.06 -42.13 48.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.9 m -89.25 -6.55 56.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.649 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.24 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -1.7 57.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.83 -83.47 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 15.4 t -178.45 114.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -87.58 1.28 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 57' ' ' GLY . 8.2 m -91.31 -5.96 53.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.562 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -22.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 55' ' ' CYS . . . -73.34 -100.56 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -108.63 -173.1 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.68 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.3 m -36.06 -94.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.68 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.8 t 140.86 101.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.64 ' C ' ' H ' ' A' ' 63' ' ' SER . 10.4 p-10 -168.46 107.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 12.2 m 61.76 -39.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.64 ' H ' ' C ' ' A' ' 61' ' ' ASP . 8.0 t -87.62 14.04 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' GLN . 2.6 t -141.83 -143.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.443 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 63.2 m -40.18 -26.8 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.578 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.498 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t -57.25 -37.77 72.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.5 p -172.4 141.62 1.12 Allowed Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.623 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.44 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.4 p -119.52 14.27 12.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.658 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 94.2 m -158.03 157.67 29.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 172.16 16.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -74.17 56.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.929 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -173.81 -89.04 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 45' ' ' GLY . 43.6 t 44.92 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -22.55 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -41.5 70.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 13.6 m -85.95 -7.89 58.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.569 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.56 -42.98 64.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.36 1.27 45.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.05 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.56 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.3 t -47.1 109.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.51 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 1.3 m -84.79 2.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.403 ' HA ' ' SG ' ' A' ' 64' ' ' CYS . 3.8 m -85.06 -11.56 55.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.642 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -21.65 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.39 -72.71 1.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 63' ' ' SER . 6.8 ptpp? -118.82 -179.7 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.557 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -51.1 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.557 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.67 75.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.228 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 7.7 p-10 -119.21 -167.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.56 -23.44 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.371 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.428 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 23.2 t -93.74 9.11 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 34.0 t -152.09 102.22 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.51 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 38.2 m 68.43 -54.01 0.54 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.6 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 17.5 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t -136.09 -74.58 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 108.3 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -133.84 143.95 49.7 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 15.12 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.441 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.74 7.9 18.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.3 m -145.41 158.26 51.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.18 7.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.23 49.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.98 44.05 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' CYS . 31.1 t -95.05 91.07 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -47.83 -23.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -70.5 -38.88 74.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -91.75 -6.88 51.11 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.601 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -3.58 56.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.89 -89.38 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 41.9 t -178.27 111.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.454 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -85.29 1.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 4.1 m -85.33 -10.7 56.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.568 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -63.39 -23.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.43 -90.14 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -94.46 -178.56 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.562 ' CG2' ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -56.74 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.562 ' N ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.75 77.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 108.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 52.6 p-10 -121.25 -167.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.87 -19.68 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . 5.9 t -97.27 8.21 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.042 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 36.8 t -151.56 100.25 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.454 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 38.5 m 70.56 -54.46 0.64 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.564 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HB2' ' HA ' ' A' ' 62' ' ' THR . 20.8 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.5 t -155.15 -73.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.543 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 11.8 p -144.47 142.1 18.9 Favored Pre-proline 0 N--CA 1.449 -0.495 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.597 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.455 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.28 9.7 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 108.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.543 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 22.0 m -148.32 161.37 34.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.224 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -75.07 166.4 29.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -69.61 59.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.78 -91.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 45' ' ' GLY . 53.3 t 53.34 109.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -64.52 -20.5 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -74.11 -44.12 55.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 23.1 m -83.26 -7.17 59.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.568 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.45 74.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.96 2.94 47.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.35 137.81 3.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.3 t -61.13 112.22 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 64' ' ' CYS . 1.4 m -87.26 2.47 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -83.37 -10.16 58.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 123.33 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.57 -68.15 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -129.58 -173.09 2.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 0.721 . . . . 0.0 109.215 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.632 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.6 m -48.97 -101.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.8 t 148.04 90.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.365 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.658 ' C ' ' H ' ' A' ' 63' ' ' SER . 21.4 p-10 -159.9 109.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.412 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 22.2 m 63.6 -36.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.658 ' H ' ' C ' ' A' ' 61' ' ' ASP . 6.1 t -89.77 12.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 3.5 t -140.8 -141.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.409 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 58.6 m -40.6 -26.8 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.515 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.234 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.8 p -138.41 143.31 38.08 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.54 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 14.88 0.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.759 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.78 8.74 18.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 108.332 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.6 m -146.83 160.91 39.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 165.26 31.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.84 60.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.11 -88.1 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.3 t 46.21 98.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -21.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -70.97 -42.39 69.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 29.5 m -88.33 -6.43 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.573 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.99 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -0.91 57.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.23 -96.17 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.052 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.444 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.5 t -174.43 111.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -86.45 -1.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 m -77.19 -10.04 59.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.585 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -27.02 67.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 -88.26 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -107.18 -177.19 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.812 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -47.76 -95.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.812 ' N ' HG22 ' A' ' 59' ' ' THR . 7.9 t -179.56 82.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 108.317 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -125.82 -167.2 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.434 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.09 -14.4 3.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 t -104.88 20.59 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.6 t -131.88 -79.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.528 ' SG ' HG22 ' A' ' 54' ' ' VAL . 76.8 m -124.02 -25.31 4.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.605 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' C ' ' HA ' ' A' ' 62' ' ' THR . 59.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.8 p -132.82 138.96 33.11 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.571 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -2.83 56.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 19.7 m -134.36 160.42 68.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.6 Cg_endo -74.97 164.36 33.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.66 61.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.95 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.81 -85.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 45' ' ' GLY . 12.9 t 40.37 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -15.14 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.543 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 2.7 mttt -75.29 -44.55 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.9 m -76.12 -7.23 54.29 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.627 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.33 -20.03 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -12.55 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.63 41.43 0.27 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.495 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.6 t 61.73 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.719 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.4 m -93.0 4.5 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.5 m -92.23 -7.82 47.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.547 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 115.79 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.21 -53.25 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 177.88 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.798 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.75 -95.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.798 ' N ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER 178.28 82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 108.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -126.71 -169.86 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.09 -14.36 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.71 21.47 17.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.555 ' O ' HG21 ' A' ' 54' ' ' VAL . 12.8 t -130.26 -79.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.719 ' SG ' HG22 ' A' ' 54' ' ' VAL . 82.7 m -124.41 -23.53 4.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.536 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.408 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.8 mm100 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -168.55 140.98 2.32 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.584 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.89 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.5 p -120.57 16.31 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 85.3 m -159.39 156.54 25.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.04 23.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -71.38 58.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.03 -88.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.5 t 45.71 97.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -21.04 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -73.06 -42.27 63.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.7 m -85.56 -7.08 59.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.53 -40.24 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.64 1.81 52.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.948 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.78 123.56 2.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.435 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.0 t -47.16 111.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.671 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.5 m -88.32 4.63 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' LYS . 4.0 m -84.36 -9.73 58.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.603 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 117.34 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.81 -56.49 0.48 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -103.16 -179.95 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.781 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -79.71 -97.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.781 ' N ' HG22 ' A' ' 59' ' ' THR . 2.2 t 179.95 81.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -127.33 -167.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.432 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.64 -14.29 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.09 21.19 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.063 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.429 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.1 t -131.83 -78.93 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.499 1.124 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.671 ' SG ' HG22 ' A' ' 54' ' ' VAL . 84.4 m -124.5 -25.31 4.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.542 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' HA ' ' A' ' 62' ' ' THR . 33.8 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 10.4 p -137.43 142.62 38.01 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.597 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 0.0 110.986 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.03 8.59 18.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.224 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.1 m -147.13 160.86 38.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 108.389 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -74.87 164.92 32.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -69.3 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 179.41 -88.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 47.8 t 45.4 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -18.54 12.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -73.77 -41.64 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.9 m -86.31 -5.92 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.602 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.69 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.1 1.7 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.03 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.28 132.34 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -56.98 116.01 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.729 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -91.12 2.29 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -82.38 -10.84 58.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.564 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -31.45 72.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 -82.41 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.16 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -101.33 -177.98 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.794 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -58.31 -89.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.794 ' N ' HG22 ' A' ' 59' ' ' THR . 1.4 t 179.21 79.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -126.26 -168.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.43 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -57.24 -14.83 4.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.423 ' O ' ' CE ' ' A' ' 58' ' ' LYS . 3.6 t -105.35 20.65 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.038 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.455 ' SG ' HG23 ' A' ' 54' ' ' VAL . 11.3 t -131.46 -80.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 54' ' ' VAL . 79.1 m -123.39 -24.29 4.65 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.606 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' C ' ' HA ' ' A' ' 62' ' ' THR . 55.3 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 3.0 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 28.2 p -137.9 137.08 20.61 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.597 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 3.39 5.66 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 -3.38 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.4 m -133.87 158.42 75.48 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 108.347 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.33 27.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 m -70.3 60.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.04 -88.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 30.2 t 41.61 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -21.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' NZ ' ' HA ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -72.24 -41.38 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.443 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 28.3 m -90.5 -8.7 49.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.588 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.58 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -4.04 55.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.7 -88.83 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.428 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 18.7 t -178.08 110.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.585 HG22 ' SG ' ' A' ' 65' ' ' CYS . 2.2 m -85.47 1.57 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 m -86.54 -8.45 57.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.535 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -26.41 66.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.48 -73.33 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -121.71 -175.72 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.754 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.5 m -48.37 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.754 ' N ' HG22 ' A' ' 59' ' ' THR . 8.4 t 179.84 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -125.11 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.427 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -56.92 -14.11 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.93 20.54 18.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 7.2 t -131.86 -79.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.585 ' SG ' HG22 ' A' ' 54' ' ' VAL . 82.4 m -124.65 -25.56 3.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.591 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.427 ' C ' ' HA ' ' A' ' 62' ' ' THR . 66.9 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.9 p -149.15 143.0 16.51 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.564 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.66 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -114.6 10.54 16.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.547 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -149.44 160.92 33.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.97 163.66 34.95 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 p -69.01 63.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.988 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 176.74 -86.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 40.0 t 42.31 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -13.54 16.16 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -76.09 -41.61 49.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.4 m -78.88 -5.65 54.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.565 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.248 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -10.56 59.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.84 42.24 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.58 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.2 t 62.16 112.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.719 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -90.74 2.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.04 -13.83 30.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.592 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -27.84 6.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.52 -97.62 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.413 1.071 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 177.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.822 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -67.87 -89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.822 ' N ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER 178.07 82.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -129.42 -168.14 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.58 -13.97 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -107.43 21.38 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.529 ' O ' HG21 ' A' ' 54' ' ' VAL . 12.5 t -131.13 -79.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.719 ' SG ' HG22 ' A' ' 54' ' ' VAL . 85.2 m -124.58 -24.23 4.24 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.535 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' C ' ' HA ' ' A' ' 62' ' ' THR . 36.3 mm-40 . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.1 p -103.03 135.0 19.48 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.563 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.6 4.59 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.29 -26.52 23.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 108.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 16.0 m -105.63 155.98 37.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.06 164.97 32.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.734 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.5 p -68.92 58.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 46' ' ' CYS . . . -169.47 -90.69 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 45' ' ' GLY . 42.8 t 36.51 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -46.88 -22.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HD2' HG21 ' A' ' 54' ' ' VAL . 1.6 mttm -73.13 -41.27 64.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' CYS . 16.0 m -88.91 -7.15 56.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -4.58 42.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.48 -94.0 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 55' ' ' CYS . 46.6 t 178.82 105.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' HD2' ' A' ' 48' ' ' LYS . 2.2 m -84.6 -0.42 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -77.0 -11.38 59.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.608 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 114.38 21.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.87 -67.85 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -179.43 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.808 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -64.78 -94.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.352 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.808 ' N ' HG22 ' A' ' 59' ' ' THR . 13.3 t 179.33 88.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 108.344 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -130.62 -166.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -13.81 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 t -105.9 19.59 20.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 10.9 t -130.52 -87.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.474 ' SG ' HG22 ' A' ' 54' ' ' VAL . 85.0 m -115.0 -22.28 9.63 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.587 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 2.1 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.7 p -132.69 138.1 31.26 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.577 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 3.48 5.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -91.65 -3.83 55.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.2 m -133.17 158.94 74.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.07 165.02 32.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -68.58 63.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.41 -85.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.9 t 40.66 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.2 p -52.72 -19.18 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 65' ' ' CYS . 1.6 mttm -73.97 -40.63 62.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 19.1 m -89.15 -7.83 54.89 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.616 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.79 66.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -5.29 49.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.065 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.82 -82.69 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 13.4 t -178.54 113.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.667 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.6 OUTLIER -84.94 -2.08 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LYS . 4.1 m -89.02 4.45 48.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -38.17 -81.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.72 57.14 0.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -166.37 165.86 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' N ' ' A' ' 60' ' ' CYS . 3.1 m -80.95 -96.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.578 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER 173.35 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 108.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -118.7 -170.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -59.76 -14.02 12.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 t -108.3 21.38 17.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.56 1.162 . . . . 0.0 109.983 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 22.1 t -129.43 -78.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.667 ' SG ' HG22 ' A' ' 54' ' ' VAL . 70.8 m -126.42 -23.01 3.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.623 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.6 mm100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.2 p -166.97 142.76 3.57 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.592 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 15.71 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' CYS . 29.5 p -121.5 17.92 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 71.6 m -160.12 157.67 25.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 167.85 26.14 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.784 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -70.22 57.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.07 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 111.075 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.7 t 51.02 105.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -15.35 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.03 -43.14 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 18.3 m -83.33 -5.41 59.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.619 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.69 78.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.267 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -6.27 47.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.57 -82.38 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.433 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.3 t -179.13 109.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.713 HG23 ' SG ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER -83.85 1.77 4.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -85.79 -10.9 54.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.561 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 118.95 14.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.03 -51.53 0.9 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -102.05 179.55 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.764 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.66 -95.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.764 ' N ' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER 178.3 74.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.516 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.6 p-10 -118.45 -168.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -53.87 -19.63 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.44 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -97.87 7.53 46.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.713 ' SG ' HG23 ' A' ' 54' ' ' VAL . 37.0 t -149.15 98.02 2.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.677 ' SG ' HG22 ' A' ' 54' ' ' VAL . 33.6 m 70.69 -53.56 0.66 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.613 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 6.3 mm100 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.9 p -169.98 140.09 1.64 Allowed Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.601 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 15.62 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.456 ' H ' ' C ' ' A' ' 39' ' ' CYS . 23.9 p -119.23 13.05 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.6 m -158.03 155.89 27.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -81.16 50.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -166.04 -90.57 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.165 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 45' ' ' GLY . 48.9 t 43.78 94.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -22.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE3' ' CA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.71 -41.87 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -86.37 -6.75 58.86 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.55 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.69 -43.69 58.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.69 0.33 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.21 2.14 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.412 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.9 t -46.19 110.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.764 HG23 ' SG ' ' A' ' 64' ' ' CYS . 2.3 m -84.57 1.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.2 m -84.07 -10.44 57.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.578 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 120.25 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -50.52 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 55' ' ' CYS . 7.3 ptpp? -103.31 -179.43 3.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.788 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -85.87 -93.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.788 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER 176.16 79.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.274 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.409 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.9 p-10 -123.05 -167.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.433 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -55.71 -17.06 5.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.462 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -99.62 6.04 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.764 ' SG ' HG23 ' A' ' 54' ' ' VAL . 34.8 t -149.04 102.29 3.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.604 1.19 . . . . 0.0 108.306 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 54' ' ' VAL . 39.2 m 69.3 -52.35 0.6 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.532 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 2.7 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 27.7 p -134.86 138.6 30.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.582 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.42 3.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -95.2 -0.26 53.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.0 m -137.61 160.9 63.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 108.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.37 16.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -74.45 56.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.921 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -176.39 -90.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' O ' ' A' ' 45' ' ' GLY . 32.9 t 48.37 100.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 p -61.63 -15.64 41.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -75.66 -45.57 36.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 6.0 m -76.23 -7.63 55.29 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.542 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.61 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -9.88 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.1 42.74 0.35 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.515 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.3 t 62.63 116.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.694 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -97.75 5.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.8 m -96.13 -9.73 29.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.637 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 143.62 48.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 15.81 59.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 55' ' ' CYS . 4.8 ptmt -165.49 -174.77 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 60' ' ' CYS . 44.7 m -92.25 -114.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.601 ' N ' HG22 ' A' ' 59' ' ' THR . 17.1 t 179.29 75.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.529 1.143 . . . . 0.0 108.236 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' CYS . 19.8 p-10 -125.87 -161.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -51.9 -29.08 18.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.4 t -84.67 7.94 18.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.629 1.206 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.611 ' SG ' HG23 ' A' ' 54' ' ' VAL . 1.8 t -125.36 -144.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.258 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.694 ' SG ' HG22 ' A' ' 54' ' ' VAL . 29.9 m -55.77 -16.76 4.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.562 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 48.5 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.3 p -148.3 143.64 17.73 Favored Pre-proline 0 N--CA 1.45 -0.446 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.52 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -115.13 11.08 16.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.5 m -150.23 161.26 31.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.0 Cg_endo -75.05 163.66 34.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -69.12 61.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.96 -87.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 49.2 t 42.6 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -13.92 15.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 110.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -75.64 -41.72 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.2 m -78.74 -6.19 55.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.577 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.39 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -11.43 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.934 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 125.51 42.35 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.571 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.5 t 62.2 112.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.711 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -90.92 2.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.55 -12.69 31.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.587 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.98 -22.04 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -104.14 -97.38 2.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -178.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.819 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -73.56 -86.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.819 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.06 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 108.352 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -128.37 -169.14 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.37 -13.49 8.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.44 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -108.02 20.44 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.539 ' O ' HG21 ' A' ' 54' ' ' VAL . 13.9 t -129.24 -78.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.711 ' SG ' HG22 ' A' ' 54' ' ' VAL . 83.1 m -125.92 -24.35 3.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.611 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' HA ' ' A' ' 62' ' ' THR . 6.0 mm100 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.5 p -167.94 139.9 2.46 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.61 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 15.69 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.3 p -119.62 16.13 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.671 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.3 m -159.0 156.61 26.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 108.279 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.71 19.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.761 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -72.9 57.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.29 -88.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 44.3 t 46.07 97.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 47' ' ' THR . 44.2 p -51.78 -20.16 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -74.33 -41.65 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 20.6 m -87.9 -8.23 56.08 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.635 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.03 70.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -3.15 52.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.05 -89.56 0.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t -177.78 110.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.707 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -84.35 3.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.89 -11.03 48.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.505 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -48.01 66.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.24 -91.66 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 169.11 11.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.826 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -65.97 -85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.826 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.18 78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.256 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -128.01 -167.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.401 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.26 -12.86 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -109.19 22.49 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 54' ' ' VAL . 13.7 t -131.07 -79.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.243 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.707 ' SG ' HG22 ' A' ' 54' ' ' VAL . 81.0 m -123.78 -23.54 4.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.612 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.404 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 3.1 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.5 p -172.35 140.33 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.562 1.822 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.3 p -119.55 13.93 12.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.674 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 93.8 m -158.0 156.98 29.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.45 22.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -71.05 58.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.55 -88.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 45' ' ' GLY . 41.8 t 48.5 99.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 47' ' ' THR . 38.2 p -51.48 -20.92 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HD3' HG11 ' A' ' 54' ' ' VAL . 1.3 mttp -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.7 m -85.2 -6.72 59.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.592 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.51 71.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.62 -2.91 55.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.76 -88.24 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.433 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.1 t -178.23 108.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.729 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -84.65 3.66 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -84.07 -10.93 57.45 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.551 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -58.95 -43.17 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.62 -82.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -177.07 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.791 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.3 m -48.35 -98.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.791 ' N ' HG22 ' A' ' 59' ' ' THR . 14.6 t 179.99 83.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -126.19 -166.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -56.7 -14.53 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.15 19.38 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 9.6 t -131.05 -83.76 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 108.253 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 54' ' ' VAL . 71.2 m -119.45 -24.31 6.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.593 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' HA ' ' A' ' 62' ' ' THR . 63.1 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.708 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.7 p -172.17 139.75 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.649 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.62 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.6 1.842 . . . . 0.0 110.961 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.7 p -119.45 14.06 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.708 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 97.8 m -158.34 156.6 27.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.31 8.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.81 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 p -78.22 54.03 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -172.46 -89.64 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.2 t 46.46 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.8 -22.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -72.01 -43.53 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.1 m -86.15 -5.92 59.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.565 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.26 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 1.85 48.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.29 125.36 2.33 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.7 t -48.14 108.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 3.1 m -84.48 2.11 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.01 -11.05 58.44 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.12 -84.68 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -110.82 -177.0 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.799 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -47.98 -98.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.799 ' N ' HG22 ' A' ' 59' ' ' THR . 8.6 t -179.63 83.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -124.8 -165.72 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.421 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -59.48 -12.11 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -107.49 21.54 17.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.508 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 9.4 t -131.31 -79.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.497 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 82.0 m -123.7 -25.63 4.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.599 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.0 mm100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 52' ' ' GLY . 44.8 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.513 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -137.83 144.63 45.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.616 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 15.15 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.82 9.42 17.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -147.67 161.18 36.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.0 166.18 29.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -69.28 59.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.4 -87.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' O ' ' A' ' 45' ' ' GLY . 16.8 t 48.6 100.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -21.17 44.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.615 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -72.25 -47.77 47.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.1 m -81.85 -7.19 59.58 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.534 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.82 -32.18 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.16 -0.38 54.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' SG ' ' A' ' 38' ' ' CYS . . . 148.6 -93.21 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.482 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.0 t -171.11 111.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.713 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -84.87 0.37 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.11 -11.3 47.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.56 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -31.79 72.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.34 -89.29 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -179.39 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.794 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -57.88 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.794 ' N ' HG22 ' A' ' 59' ' ' THR . 2.8 t 179.59 79.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.264 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -120.14 -169.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.422 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -58.13 -13.76 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 21.49 17.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.6 ' SG ' HG23 ' A' ' 54' ' ' VAL . 10.1 t -130.2 -75.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 108.334 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.713 ' SG ' HG22 ' A' ' 54' ' ' VAL . 62.3 m -130.85 -23.69 2.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.641 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 3.6 mm100 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.6 p -134.6 139.16 31.7 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.597 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 3.49 5.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -0.73 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.8 m -136.86 160.6 65.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.5 t -77.82 54.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -175.43 -91.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 45' ' ' GLY . 37.1 t 50.6 101.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -18.34 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -76.06 -42.13 48.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.9 m -89.25 -6.55 56.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.649 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.24 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -1.7 57.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.83 -83.47 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 15.4 t -178.45 114.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.649 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -87.58 1.28 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 57' ' ' GLY . 8.2 m -91.31 -5.96 53.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.562 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -22.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 55' ' ' CYS . . . -73.34 -100.56 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -108.63 -173.1 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.714 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.3 m -36.06 -94.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.714 ' N ' HG22 ' A' ' 59' ' ' THR . 4.8 t 140.86 101.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.4 p-10 -168.46 107.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.416 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 12.2 m 61.76 -39.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.0 t -87.62 14.04 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.537 ' SG ' HG23 ' A' ' 54' ' ' VAL . 2.6 t -141.83 -143.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.649 ' SG ' HG22 ' A' ' 54' ' ' VAL . 63.2 m -40.18 -26.8 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.578 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.5 p -172.4 141.62 1.12 Allowed Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.623 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.4 p -119.52 14.27 12.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 94.2 m -158.03 157.67 29.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 172.16 16.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -74.17 56.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.929 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -173.81 -89.04 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 45' ' ' GLY . 43.6 t 44.92 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -22.55 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -41.5 70.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 13.6 m -85.95 -7.89 58.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.569 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.56 -42.98 64.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.36 1.27 45.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.05 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.56 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.3 t -47.1 109.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.674 HG23 ' SG ' ' A' ' 64' ' ' CYS . 1.3 m -84.79 2.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.8 m -85.06 -11.56 55.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.642 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -21.65 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.39 -72.71 1.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 63' ' ' SER . 6.8 ptpp? -118.82 -179.7 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.777 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -51.1 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.777 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.67 75.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.228 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 7.7 p-10 -119.21 -167.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.56 -23.44 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.371 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.428 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 23.2 t -93.74 9.11 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.674 ' SG ' HG23 ' A' ' 54' ' ' VAL . 34.0 t -152.09 102.22 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 54' ' ' VAL . 38.2 m 68.43 -54.01 0.54 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.6 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 17.5 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -133.84 143.95 49.7 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 15.12 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.74 7.9 18.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.3 m -145.41 158.26 51.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.18 7.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.23 49.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.98 44.05 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' CYS . 31.1 t -95.05 91.07 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -47.83 -23.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -70.5 -38.88 74.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -91.75 -6.88 51.11 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.601 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -3.58 56.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.89 -89.38 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 41.9 t -178.27 111.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' SG ' ' A' ' 64' ' ' CYS . 0.9 OUTLIER -85.29 1.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.1 m -85.33 -10.7 56.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.568 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -63.39 -23.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.43 -90.14 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -94.46 -178.56 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.79 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -56.74 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.79 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.75 77.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 108.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.479 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 52.6 p-10 -121.25 -167.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.87 -19.68 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . 5.9 t -97.27 8.21 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.042 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 54' ' ' VAL . 36.8 t -151.56 100.25 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.684 ' SG ' HG22 ' A' ' 54' ' ' VAL . 38.5 m 70.56 -54.46 0.64 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.564 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.479 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 20.8 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 11.8 p -144.47 142.1 18.9 Favored Pre-proline 0 N--CA 1.449 -0.495 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.597 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.28 9.7 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 108.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 22.0 m -148.32 161.37 34.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.224 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -75.07 166.4 29.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -69.61 59.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.78 -91.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 45' ' ' GLY . 53.3 t 53.34 109.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -64.52 -20.5 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' HG21 ' A' ' 54' ' ' VAL . 1.2 mttm -74.11 -44.12 55.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 23.1 m -83.26 -7.17 59.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.568 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.45 74.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.96 2.94 47.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.35 137.81 3.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.3 t -61.13 112.22 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.897 HG23 ' SG ' ' A' ' 64' ' ' CYS . 1.4 m -87.26 2.47 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -83.37 -10.16 58.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 123.33 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.57 -68.15 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -129.58 -173.09 2.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 0.721 . . . . 0.0 109.215 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.698 HG22 ' N ' ' A' ' 60' ' ' CYS . 2.6 m -48.97 -101.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.698 ' N ' HG22 ' A' ' 59' ' ' THR . 1.8 t 148.04 90.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.365 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.668 ' C ' ' H ' ' A' ' 63' ' ' SER . 21.4 p-10 -159.9 109.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 22.2 m 63.6 -36.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.668 ' H ' ' C ' ' A' ' 61' ' ' ASP . 6.1 t -89.77 12.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.897 ' SG ' HG23 ' A' ' 54' ' ' VAL . 3.5 t -140.8 -141.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 54' ' ' VAL . 58.6 m -40.6 -26.8 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.515 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.234 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.7 t -125.93 -74.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.8 p -138.41 143.31 38.08 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.54 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 14.88 0.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.759 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.78 8.74 18.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 108.332 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.6 m -146.83 160.91 39.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 165.26 31.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.84 60.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.11 -88.1 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.3 t 46.21 98.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -21.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -70.97 -42.39 69.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 29.5 m -88.33 -6.43 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.573 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.99 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -0.91 57.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.23 -96.17 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.052 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.444 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.5 t -174.43 111.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -86.45 -1.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 m -77.19 -10.04 59.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.585 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -27.02 67.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 -88.26 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -107.18 -177.19 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.812 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -47.76 -95.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.812 ' N ' HG22 ' A' ' 59' ' ' THR . 7.9 t -179.56 82.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 108.317 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -125.82 -167.2 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.434 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.09 -14.4 3.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 t -104.88 20.59 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.6 t -131.88 -79.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.528 ' SG ' HG22 ' A' ' 54' ' ' VAL . 76.8 m -124.02 -25.31 4.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.605 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' C ' ' HA ' ' A' ' 62' ' ' THR . 59.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 p -47.93 -55.78 9.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.8 p -132.82 138.96 33.11 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.571 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -2.83 56.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 19.7 m -134.36 160.42 68.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.6 Cg_endo -74.97 164.36 33.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.66 61.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.95 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.81 -85.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 45' ' ' GLY . 12.9 t 40.37 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -15.14 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 2.7 mttt -75.29 -44.55 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.9 m -76.12 -7.23 54.29 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.627 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.33 -20.03 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -12.55 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.63 41.43 0.27 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.495 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.6 t 61.73 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.719 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.4 m -93.0 4.5 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.5 m -92.23 -7.82 47.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.547 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 115.79 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.21 -53.25 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 177.88 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.798 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.75 -95.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.798 ' N ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER 178.28 82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 108.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -126.71 -169.86 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.09 -14.36 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.71 21.47 17.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.555 ' O ' HG21 ' A' ' 54' ' ' VAL . 12.8 t -130.26 -79.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.719 ' SG ' HG22 ' A' ' 54' ' ' VAL . 82.7 m -124.41 -23.53 4.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.536 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.408 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.8 mm100 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.9 t -111.75 -42.05 3.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.251 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -168.55 140.98 2.32 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.584 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.89 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.5 p -120.57 16.31 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 85.3 m -159.39 156.54 25.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.04 23.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -71.38 58.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.03 -88.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.5 t 45.71 97.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -21.04 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -73.06 -42.27 63.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.7 m -85.56 -7.08 59.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.53 -40.24 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.64 1.81 52.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.948 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.78 123.56 2.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.435 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.0 t -47.16 111.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.671 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.5 m -88.32 4.63 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' LYS . 4.0 m -84.36 -9.73 58.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.603 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 117.34 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.81 -56.49 0.48 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -103.16 -179.95 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.781 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -79.71 -97.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.781 ' N ' HG22 ' A' ' 59' ' ' THR . 2.2 t 179.95 81.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -127.33 -167.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.432 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.64 -14.29 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.09 21.19 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.063 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.429 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.1 t -131.83 -78.93 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.499 1.124 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.671 ' SG ' HG22 ' A' ' 54' ' ' VAL . 84.4 m -124.5 -25.31 4.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.542 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' HA ' ' A' ' 62' ' ' THR . 33.8 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.5 t -128.13 -74.74 0.57 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 108.25 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 10.4 p -137.43 142.62 38.01 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.597 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 0.0 110.986 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.03 8.59 18.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.224 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.1 m -147.13 160.86 38.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 108.389 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -74.87 164.92 32.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -69.3 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 179.41 -88.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 47.8 t 45.4 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -18.54 12.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -73.77 -41.64 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.9 m -86.31 -5.92 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.602 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.69 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.1 1.7 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.03 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.28 132.34 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -56.98 116.01 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.729 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -91.12 2.29 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -82.38 -10.84 58.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.564 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -31.45 72.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 -82.41 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.16 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -101.33 -177.98 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.794 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -58.31 -89.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.794 ' N ' HG22 ' A' ' 59' ' ' THR . 1.4 t 179.21 79.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -126.26 -168.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.43 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -57.24 -14.83 4.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.423 ' O ' ' CE ' ' A' ' 58' ' ' LYS . 3.6 t -105.35 20.65 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.038 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.455 ' SG ' HG23 ' A' ' 54' ' ' VAL . 11.3 t -131.46 -80.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 54' ' ' VAL . 79.1 m -123.39 -24.29 4.65 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.606 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' C ' ' HA ' ' A' ' 62' ' ' THR . 55.3 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 3.0 p -87.44 -53.44 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 28.2 p -137.9 137.08 20.61 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.597 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 3.39 5.66 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 -3.38 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.4 m -133.87 158.42 75.48 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 108.347 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.33 27.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 m -70.3 60.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.04 -88.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 30.2 t 41.61 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -21.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' NZ ' ' HA ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -72.24 -41.38 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 28.3 m -90.5 -8.7 49.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.588 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.58 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -4.04 55.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.7 -88.83 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 18.7 t -178.08 110.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.585 HG22 ' SG ' ' A' ' 65' ' ' CYS . 2.2 m -85.47 1.57 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 m -86.54 -8.45 57.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.535 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -26.41 66.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.48 -73.33 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -121.71 -175.72 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.754 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.5 m -48.37 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.754 ' N ' HG22 ' A' ' 59' ' ' THR . 8.4 t 179.84 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -125.11 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.427 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -56.92 -14.11 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.93 20.54 18.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 7.2 t -131.86 -79.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.585 ' SG ' HG22 ' A' ' 54' ' ' VAL . 82.4 m -124.65 -25.56 3.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.591 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.427 ' C ' ' HA ' ' A' ' 62' ' ' THR . 66.9 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.2 t -158.41 -73.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 108.402 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.9 p -149.15 143.0 16.51 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.564 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.66 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -114.6 10.54 16.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.539 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -149.44 160.92 33.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.97 163.66 34.95 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 p -69.01 63.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.988 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 176.74 -86.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 40.0 t 42.31 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -13.54 16.16 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -76.09 -41.61 49.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.4 m -78.88 -5.65 54.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.565 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.248 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -10.56 59.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.84 42.24 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.58 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.2 t 62.16 112.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.719 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -90.74 2.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.04 -13.83 30.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.592 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -27.84 6.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.52 -97.62 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.413 1.071 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 177.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.822 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -67.87 -89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.822 ' N ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER 178.07 82.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -129.42 -168.14 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.58 -13.97 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -107.43 21.38 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.529 ' O ' HG21 ' A' ' 54' ' ' VAL . 12.5 t -131.13 -79.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.719 ' SG ' HG22 ' A' ' 54' ' ' VAL . 85.2 m -124.58 -24.23 4.24 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.535 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' C ' ' HA ' ' A' ' 62' ' ' THR . 36.3 mm-40 . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -110.56 -75.66 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 108.295 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.1 p -103.03 135.0 19.48 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.563 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.6 4.59 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.29 -26.52 23.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 108.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 16.0 m -105.63 155.98 37.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.06 164.97 32.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.734 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.5 p -68.92 58.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 46' ' ' CYS . . . -169.47 -90.69 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 45' ' ' GLY . 42.8 t 36.51 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -46.88 -22.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HD2' HG21 ' A' ' 54' ' ' VAL . 1.6 mttm -73.13 -41.27 64.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' CYS . 16.0 m -88.91 -7.15 56.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -4.58 42.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.48 -94.0 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 55' ' ' CYS . 46.6 t 178.82 105.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' HD2' ' A' ' 48' ' ' LYS . 2.2 m -84.6 -0.42 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -77.0 -11.38 59.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.608 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 114.38 21.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.87 -67.85 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -179.43 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.808 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -64.78 -94.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.352 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.808 ' N ' HG22 ' A' ' 59' ' ' THR . 13.3 t 179.33 88.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 108.344 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -130.62 -166.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -13.81 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 t -105.9 19.59 20.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 10.9 t -130.52 -87.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.474 ' SG ' HG22 ' A' ' 54' ' ' VAL . 85.0 m -115.0 -22.28 9.63 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.587 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 2.1 p -105.38 -55.61 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.362 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.7 p -132.69 138.1 31.26 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.577 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 3.48 5.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -91.65 -3.83 55.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.2 m -133.17 158.94 74.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.07 165.02 32.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -68.58 63.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.41 -85.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.9 t 40.66 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.2 p -52.72 -19.18 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 65' ' ' CYS . 1.6 mttm -73.97 -40.63 62.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 19.1 m -89.15 -7.83 54.89 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.616 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.79 66.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -5.29 49.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.065 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.82 -82.69 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 13.4 t -178.54 113.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.667 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.6 OUTLIER -84.94 -2.08 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LYS . 4.1 m -89.02 4.45 48.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -38.17 -81.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.72 57.14 0.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -166.37 165.86 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' N ' ' A' ' 60' ' ' CYS . 3.1 m -80.95 -96.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.578 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER 173.35 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 108.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -118.7 -170.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -59.76 -14.02 12.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 t -108.3 21.38 17.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.56 1.162 . . . . 0.0 109.983 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 22.1 t -129.43 -78.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.667 ' SG ' HG22 ' A' ' 54' ' ' VAL . 70.8 m -126.42 -23.01 3.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.623 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.6 mm100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t -75.93 -39.24 56.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.125 . . . . 0.0 108.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.2 p -166.97 142.76 3.57 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.592 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 15.71 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' CYS . 29.5 p -121.5 17.92 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.664 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 71.6 m -160.12 157.67 25.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 167.85 26.14 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.784 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -70.22 57.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.07 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 111.075 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.7 t 51.02 105.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -15.35 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.03 -43.14 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 18.3 m -83.33 -5.41 59.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.619 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.69 78.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.267 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -6.27 47.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.57 -82.38 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.433 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.3 t -179.13 109.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.713 HG23 ' SG ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER -83.85 1.77 4.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -85.79 -10.9 54.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.561 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 118.95 14.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.03 -51.53 0.9 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -102.05 179.55 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.764 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.66 -95.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.764 ' N ' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER 178.3 74.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.6 p-10 -118.45 -168.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -53.87 -19.63 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.44 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -97.87 7.53 46.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.713 ' SG ' HG23 ' A' ' 54' ' ' VAL . 37.0 t -149.15 98.02 2.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.677 ' SG ' HG22 ' A' ' 54' ' ' VAL . 33.6 m 70.69 -53.56 0.66 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.613 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 26.7 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.7 t -165.4 -45.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.406 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.9 p -169.98 140.09 1.64 Allowed Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.601 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 15.62 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.456 ' H ' ' C ' ' A' ' 39' ' ' CYS . 23.9 p -119.23 13.05 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.6 m -158.03 155.89 27.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -81.16 50.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -166.04 -90.57 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.165 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 45' ' ' GLY . 48.9 t 43.78 94.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -22.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE3' ' CA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.71 -41.87 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -86.37 -6.75 58.86 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.55 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.69 -43.69 58.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.69 0.33 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.21 2.14 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.412 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.9 t -46.19 110.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.764 HG23 ' SG ' ' A' ' 64' ' ' CYS . 2.3 m -84.57 1.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.2 m -84.07 -10.44 57.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.578 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 120.25 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -50.52 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 55' ' ' CYS . 7.3 ptpp? -103.31 -179.43 3.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.788 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -85.87 -93.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.788 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER 176.16 79.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.274 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.9 p-10 -123.05 -167.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.433 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -55.71 -17.06 5.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.462 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -99.62 6.04 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.764 ' SG ' HG23 ' A' ' 54' ' ' VAL . 34.8 t -149.04 102.29 3.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.604 1.19 . . . . 0.0 108.306 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 54' ' ' VAL . 39.2 m 69.3 -52.35 0.6 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.532 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 2.7 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -134.75 -55.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 27.7 p -134.86 138.6 30.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.582 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.42 3.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -95.2 -0.26 53.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.0 m -137.61 160.9 63.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 108.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.37 16.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -74.45 56.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.921 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -176.39 -90.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' O ' ' A' ' 45' ' ' GLY . 32.9 t 48.37 100.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 p -61.63 -15.64 41.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -75.66 -45.57 36.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 6.0 m -76.23 -7.63 55.29 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.542 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.61 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -9.88 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.1 42.74 0.35 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.515 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.3 t 62.63 116.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.694 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -97.75 5.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.8 m -96.13 -9.73 29.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.637 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 143.62 48.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 15.81 59.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 55' ' ' CYS . 4.8 ptmt -165.49 -174.77 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 60' ' ' CYS . 44.7 m -92.25 -114.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.601 ' N ' HG22 ' A' ' 59' ' ' THR . 17.1 t 179.29 75.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.529 1.143 . . . . 0.0 108.236 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' CYS . 19.8 p-10 -125.87 -161.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -51.9 -29.08 18.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.4 t -84.67 7.94 18.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.629 1.206 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.611 ' SG ' HG23 ' A' ' 54' ' ' VAL . 1.8 t -125.36 -144.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.258 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.694 ' SG ' HG22 ' A' ' 54' ' ' VAL . 29.9 m -55.77 -16.76 4.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.562 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 48.5 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 t -148.76 -73.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.257 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.549 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.3 p -148.3 143.64 17.73 Favored Pre-proline 0 N--CA 1.45 -0.446 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.52 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -115.13 11.08 16.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.549 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.5 m -150.23 161.26 31.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.0 Cg_endo -75.05 163.66 34.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -69.12 61.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.96 -87.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 49.2 t 42.6 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -13.92 15.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 110.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -75.64 -41.72 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.2 m -78.74 -6.19 55.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.577 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.39 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -11.43 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.934 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 125.51 42.35 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.571 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.5 t 62.2 112.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.711 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -90.92 2.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.55 -12.69 31.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.587 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.98 -22.04 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -104.14 -97.38 2.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -178.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.819 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -73.56 -86.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.819 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.06 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 108.352 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -128.37 -169.14 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.37 -13.49 8.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.44 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -108.02 20.44 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.539 ' O ' HG21 ' A' ' 54' ' ' VAL . 13.9 t -129.24 -78.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.711 ' SG ' HG22 ' A' ' 54' ' ' VAL . 83.1 m -125.92 -24.35 3.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.611 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' HA ' ' A' ' 62' ' ' THR . 6.0 mm100 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t -165.25 -45.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 108.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.5 p -167.94 139.9 2.46 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.61 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 15.69 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.3 p -119.62 16.13 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.671 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.3 m -159.0 156.61 26.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 108.279 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.71 19.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.761 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -72.9 57.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.29 -88.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 44.3 t 46.07 97.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 47' ' ' THR . 44.2 p -51.78 -20.16 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -74.33 -41.65 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 20.6 m -87.9 -8.23 56.08 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.635 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.03 70.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -3.15 52.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.05 -89.56 0.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t -177.78 110.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.707 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -84.35 3.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.89 -11.03 48.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.505 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -48.01 66.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.24 -91.66 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 169.11 11.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.826 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -65.97 -85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.826 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.18 78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.256 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -128.01 -167.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.401 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.26 -12.86 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -109.19 22.49 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 54' ' ' VAL . 13.7 t -131.07 -79.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.243 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.707 ' SG ' HG22 ' A' ' 54' ' ' VAL . 81.0 m -123.78 -23.54 4.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.612 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.404 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 3.1 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.4 t -101.06 -38.39 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 108.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.5 p -172.35 140.33 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.562 1.822 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.3 p -119.55 13.93 12.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.674 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 93.8 m -158.0 156.98 29.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.45 22.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -71.05 58.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.55 -88.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 45' ' ' GLY . 41.8 t 48.5 99.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 47' ' ' THR . 38.2 p -51.48 -20.92 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HD3' HG11 ' A' ' 54' ' ' VAL . 1.3 mttp -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.7 m -85.2 -6.72 59.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.592 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.51 71.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.62 -2.91 55.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.76 -88.24 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.433 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.1 t -178.23 108.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.729 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -84.65 3.66 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -84.07 -10.93 57.45 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.551 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -58.95 -43.17 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.62 -82.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -177.07 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.791 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.3 m -48.35 -98.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.791 ' N ' HG22 ' A' ' 59' ' ' THR . 14.6 t 179.99 83.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -126.19 -166.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -56.7 -14.53 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.15 19.38 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 9.6 t -131.05 -83.76 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 108.253 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 54' ' ' VAL . 71.2 m -119.45 -24.31 6.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.593 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' HA ' ' A' ' 62' ' ' THR . 63.1 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.9 t -165.32 -45.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 108.33 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.7 p -172.17 139.75 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.649 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.62 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.6 1.842 . . . . 0.0 110.961 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.7 p -119.45 14.06 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.707 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 97.8 m -158.34 156.6 27.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.31 8.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.81 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 p -78.22 54.03 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -172.46 -89.64 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.2 t 46.46 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.8 -22.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -72.01 -43.53 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.1 m -86.15 -5.92 59.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.565 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.26 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 1.85 48.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.29 125.36 2.33 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.7 t -48.14 108.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 3.1 m -84.48 2.11 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.01 -11.05 58.44 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.12 -84.68 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -110.82 -177.0 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.799 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -47.98 -98.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.799 ' N ' HG22 ' A' ' 59' ' ' THR . 8.6 t -179.63 83.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -124.8 -165.72 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.421 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -59.48 -12.11 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -107.49 21.54 17.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.508 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 9.4 t -131.31 -79.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.497 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 82.0 m -123.7 -25.63 4.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.599 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.0 mm100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 52' ' ' GLY . 44.8 t -52.4 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -137.83 144.63 45.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.616 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 15.15 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.82 9.42 17.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -147.67 161.18 36.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.0 166.18 29.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -69.28 59.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.4 -87.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' O ' ' A' ' 45' ' ' GLY . 16.8 t 48.6 100.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -21.17 44.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.615 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -72.25 -47.77 47.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.1 m -81.85 -7.19 59.58 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.534 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.82 -32.18 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.16 -0.38 54.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 38' ' ' CYS . . . 148.6 -93.21 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.482 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.0 t -171.11 111.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.713 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -84.87 0.37 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.11 -11.3 47.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.56 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -31.79 72.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.34 -89.29 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -179.39 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.794 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -57.88 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.794 ' N ' HG22 ' A' ' 59' ' ' THR . 2.8 t 179.59 79.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.264 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -120.14 -169.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.422 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -58.13 -13.76 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 21.49 17.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.6 ' SG ' HG23 ' A' ' 54' ' ' VAL . 10.1 t -130.2 -75.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 108.334 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.713 ' SG ' HG22 ' A' ' 54' ' ' VAL . 62.3 m -130.85 -23.69 2.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.641 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 3.6 mm100 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.22 -54.55 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.6 p -134.6 139.16 31.7 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.597 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 3.49 5.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -0.73 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.8 m -136.86 160.6 65.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.5 t -77.82 54.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -175.43 -91.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 45' ' ' GLY . 37.1 t 50.6 101.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -18.34 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -76.06 -42.13 48.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.9 m -89.25 -6.55 56.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.649 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.24 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -1.7 57.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.83 -83.47 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 15.4 t -178.45 114.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.649 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -87.58 1.28 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 57' ' ' GLY . 8.2 m -91.31 -5.96 53.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.562 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -22.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 55' ' ' CYS . . . -73.34 -100.56 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -108.63 -173.1 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.714 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.3 m -36.06 -94.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.714 ' N ' HG22 ' A' ' 59' ' ' THR . 4.8 t 140.86 101.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.4 p-10 -168.46 107.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.416 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 12.2 m 61.76 -39.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.0 t -87.62 14.04 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.537 ' SG ' HG23 ' A' ' 54' ' ' VAL . 2.6 t -141.83 -143.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.649 ' SG ' HG22 ' A' ' 54' ' ' VAL . 63.2 m -40.18 -26.8 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.578 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t -57.25 -37.77 72.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.5 p -172.4 141.62 1.12 Allowed Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.623 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.4 p -119.52 14.27 12.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 94.2 m -158.03 157.67 29.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 172.16 16.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -74.17 56.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.929 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -173.81 -89.04 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 45' ' ' GLY . 43.6 t 44.92 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -22.55 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -41.5 70.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 13.6 m -85.95 -7.89 58.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.569 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.56 -42.98 64.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.36 1.27 45.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.05 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.56 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.3 t -47.1 109.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.674 HG23 ' SG ' ' A' ' 64' ' ' CYS . 1.3 m -84.79 2.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.8 m -85.06 -11.56 55.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.642 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -21.65 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.39 -72.71 1.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 63' ' ' SER . 6.8 ptpp? -118.82 -179.7 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.777 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -51.1 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.777 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.67 75.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.228 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 7.7 p-10 -119.21 -167.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.56 -23.44 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.371 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.428 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 23.2 t -93.74 9.11 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.674 ' SG ' HG23 ' A' ' 54' ' ' VAL . 34.0 t -152.09 102.22 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 54' ' ' VAL . 38.2 m 68.43 -54.01 0.54 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.6 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 17.5 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t -136.09 -74.58 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 108.3 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -133.84 143.95 49.7 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 15.12 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.74 7.9 18.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.3 m -145.41 158.26 51.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.18 7.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.23 49.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.98 44.05 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' CYS . 31.1 t -95.05 91.07 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -47.83 -23.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -70.5 -38.88 74.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -91.75 -6.88 51.11 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.601 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -3.58 56.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.89 -89.38 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 41.9 t -178.27 111.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' SG ' ' A' ' 64' ' ' CYS . 0.9 OUTLIER -85.29 1.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.1 m -85.33 -10.7 56.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.568 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -63.39 -23.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.43 -90.14 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -94.46 -178.56 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.79 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -56.74 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.79 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.75 77.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 108.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.479 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 52.6 p-10 -121.25 -167.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.87 -19.68 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . 5.9 t -97.27 8.21 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.042 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 54' ' ' VAL . 36.8 t -151.56 100.25 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.684 ' SG ' HG22 ' A' ' 54' ' ' VAL . 38.5 m 70.56 -54.46 0.64 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.564 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.479 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 20.8 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.5 t -155.15 -73.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 11.8 p -144.47 142.1 18.9 Favored Pre-proline 0 N--CA 1.449 -0.495 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.597 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.28 9.7 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 108.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.544 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 22.0 m -148.32 161.37 34.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.224 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -75.07 166.4 29.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -69.61 59.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.78 -91.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 45' ' ' GLY . 53.3 t 53.34 109.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -64.52 -20.5 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' HG21 ' A' ' 54' ' ' VAL . 1.2 mttm -74.11 -44.12 55.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 23.1 m -83.26 -7.17 59.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.568 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.45 74.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.96 2.94 47.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.35 137.81 3.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.3 t -61.13 112.22 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.897 HG23 ' SG ' ' A' ' 64' ' ' CYS . 1.4 m -87.26 2.47 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -83.37 -10.16 58.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 123.33 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.57 -68.15 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -129.58 -173.09 2.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 0.721 . . . . 0.0 109.215 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.698 HG22 ' N ' ' A' ' 60' ' ' CYS . 2.6 m -48.97 -101.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.698 ' N ' HG22 ' A' ' 59' ' ' THR . 1.8 t 148.04 90.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.365 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.668 ' C ' ' H ' ' A' ' 63' ' ' SER . 21.4 p-10 -159.9 109.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 22.2 m 63.6 -36.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.668 ' H ' ' C ' ' A' ' 61' ' ' ASP . 6.1 t -89.77 12.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.897 ' SG ' HG23 ' A' ' 54' ' ' VAL . 3.5 t -140.8 -141.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 54' ' ' VAL . 58.6 m -40.6 -26.8 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.515 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.234 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.8 p -138.41 143.31 38.08 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.54 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 14.88 0.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.759 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.78 8.74 18.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 108.332 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.6 m -146.83 160.91 39.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 165.26 31.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.84 60.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.11 -88.1 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.3 t 46.21 98.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -21.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -70.97 -42.39 69.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 29.5 m -88.33 -6.43 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.573 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.99 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -0.91 57.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.23 -96.17 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.052 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.444 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.5 t -174.43 111.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -86.45 -1.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 m -77.19 -10.04 59.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.585 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -27.02 67.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 -88.26 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -107.18 -177.19 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.812 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -47.76 -95.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.812 ' N ' HG22 ' A' ' 59' ' ' THR . 7.9 t -179.56 82.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 108.317 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -125.82 -167.2 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.434 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.09 -14.4 3.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 t -104.88 20.59 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.6 t -131.88 -79.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.528 ' SG ' HG22 ' A' ' 54' ' ' VAL . 76.8 m -124.02 -25.31 4.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.605 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' C ' ' HA ' ' A' ' 62' ' ' THR . 59.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.8 p -132.82 138.96 33.11 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.571 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -2.83 56.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 19.7 m -134.36 160.42 68.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.6 Cg_endo -74.97 164.36 33.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.66 61.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.95 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.81 -85.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 45' ' ' GLY . 12.9 t 40.37 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -15.14 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.543 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 2.7 mttt -75.29 -44.55 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.9 m -76.12 -7.23 54.29 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.627 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.33 -20.03 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -12.55 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.63 41.43 0.27 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.495 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.6 t 61.73 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.719 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.4 m -93.0 4.5 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.5 m -92.23 -7.82 47.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.547 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 115.79 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.21 -53.25 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 177.88 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.798 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.75 -95.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.798 ' N ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER 178.28 82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 108.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -126.71 -169.86 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.09 -14.36 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.71 21.47 17.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.555 ' O ' HG21 ' A' ' 54' ' ' VAL . 12.8 t -130.26 -79.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.719 ' SG ' HG22 ' A' ' 54' ' ' VAL . 82.7 m -124.41 -23.53 4.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.536 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.461 ' NE2' ' HB2' ' A' ' 65' ' ' CYS . 17.3 mm-40 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -168.55 140.98 2.32 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.584 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.89 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.5 p -120.57 16.31 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 85.3 m -159.39 156.54 25.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.04 23.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -71.38 58.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.03 -88.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.5 t 45.71 97.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -21.04 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -73.06 -42.27 63.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.7 m -85.56 -7.08 59.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.53 -40.24 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.64 1.81 52.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.948 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.78 123.56 2.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.435 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.0 t -47.16 111.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.671 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.5 m -88.32 4.63 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' LYS . 4.0 m -84.36 -9.73 58.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.603 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 117.34 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.81 -56.49 0.48 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -103.16 -179.95 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.781 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -79.71 -97.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.781 ' N ' HG22 ' A' ' 59' ' ' THR . 2.2 t 179.95 81.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -127.33 -167.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.432 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.64 -14.29 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.09 21.19 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.063 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.429 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.1 t -131.83 -78.93 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.499 1.124 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.671 ' SG ' HG22 ' A' ' 54' ' ' VAL . 84.4 m -124.5 -25.31 4.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.542 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' HA ' ' A' ' 62' ' ' THR . 33.8 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 10.4 p -137.43 142.62 38.01 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.597 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 0.0 110.986 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.03 8.59 18.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.224 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.1 m -147.13 160.86 38.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 108.389 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -74.87 164.92 32.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -69.3 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 179.41 -88.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 47.8 t 45.4 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -18.54 12.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -73.77 -41.64 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.9 m -86.31 -5.92 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.602 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.69 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.1 1.7 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.03 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.28 132.34 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -56.98 116.01 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.729 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -91.12 2.29 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -82.38 -10.84 58.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.564 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -31.45 72.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 -82.41 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.16 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -101.33 -177.98 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.794 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -58.31 -89.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.794 ' N ' HG22 ' A' ' 59' ' ' THR . 1.4 t 179.21 79.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -126.26 -168.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.43 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -57.24 -14.83 4.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.423 ' O ' ' CE ' ' A' ' 58' ' ' LYS . 3.6 t -105.35 20.65 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.038 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.455 ' SG ' HG23 ' A' ' 54' ' ' VAL . 11.3 t -131.46 -80.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 54' ' ' VAL . 79.1 m -123.39 -24.29 4.65 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.606 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' C ' ' HA ' ' A' ' 62' ' ' THR . 55.3 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 3.0 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 28.2 p -137.9 137.08 20.61 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.597 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 3.39 5.66 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 -3.38 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.4 m -133.87 158.42 75.48 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 108.347 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.33 27.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 m -70.3 60.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.04 -88.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 30.2 t 41.61 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -21.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' NZ ' ' HA ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -72.24 -41.38 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.443 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 28.3 m -90.5 -8.7 49.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.588 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.58 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -4.04 55.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.7 -88.83 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.428 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 18.7 t -178.08 110.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.585 HG22 ' SG ' ' A' ' 65' ' ' CYS . 2.2 m -85.47 1.57 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 m -86.54 -8.45 57.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.535 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -26.41 66.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.48 -73.33 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -121.71 -175.72 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.754 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.5 m -48.37 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.754 ' N ' HG22 ' A' ' 59' ' ' THR . 8.4 t 179.84 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -125.11 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.427 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -56.92 -14.11 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.93 20.54 18.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 7.2 t -131.86 -79.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.585 ' SG ' HG22 ' A' ' 54' ' ' VAL . 82.4 m -124.65 -25.56 3.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.591 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.427 ' C ' ' HA ' ' A' ' 62' ' ' THR . 66.9 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.9 p -149.15 143.0 16.51 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.564 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.66 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -114.6 10.54 16.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.547 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -149.44 160.92 33.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.97 163.66 34.95 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 p -69.01 63.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.988 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 176.74 -86.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 40.0 t 42.31 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -13.54 16.16 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -76.09 -41.61 49.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.4 m -78.88 -5.65 54.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.565 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.248 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -10.56 59.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.84 42.24 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.58 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.2 t 62.16 112.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.719 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -90.74 2.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.04 -13.83 30.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.592 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -27.84 6.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.52 -97.62 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.413 1.071 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 177.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.822 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -67.87 -89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.822 ' N ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER 178.07 82.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -129.42 -168.14 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.58 -13.97 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -107.43 21.38 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.529 ' O ' HG21 ' A' ' 54' ' ' VAL . 12.5 t -131.13 -79.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.719 ' SG ' HG22 ' A' ' 54' ' ' VAL . 85.2 m -124.58 -24.23 4.24 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.535 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' C ' ' HA ' ' A' ' 62' ' ' THR . 36.3 mm-40 . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.1 p -103.03 135.0 19.48 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.563 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.6 4.59 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.29 -26.52 23.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 108.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 16.0 m -105.63 155.98 37.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.06 164.97 32.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.734 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.5 p -68.92 58.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 46' ' ' CYS . . . -169.47 -90.69 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 45' ' ' GLY . 42.8 t 36.51 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -46.88 -22.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HD2' HG21 ' A' ' 54' ' ' VAL . 1.6 mttm -73.13 -41.27 64.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' CYS . 16.0 m -88.91 -7.15 56.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -4.58 42.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.48 -94.0 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 55' ' ' CYS . 46.6 t 178.82 105.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' HD2' ' A' ' 48' ' ' LYS . 2.2 m -84.6 -0.42 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -77.0 -11.38 59.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.608 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 114.38 21.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.87 -67.85 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -179.43 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.808 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -64.78 -94.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.352 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.808 ' N ' HG22 ' A' ' 59' ' ' THR . 13.3 t 179.33 88.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 108.344 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -130.62 -166.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -13.81 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 t -105.9 19.59 20.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 10.9 t -130.52 -87.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.474 ' SG ' HG22 ' A' ' 54' ' ' VAL . 85.0 m -115.0 -22.28 9.63 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.587 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 2.1 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.7 p -132.69 138.1 31.26 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.577 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 3.48 5.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -91.65 -3.83 55.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.2 m -133.17 158.94 74.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.07 165.02 32.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -68.58 63.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.41 -85.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.9 t 40.66 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.2 p -52.72 -19.18 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 65' ' ' CYS . 1.6 mttm -73.97 -40.63 62.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 19.1 m -89.15 -7.83 54.89 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.616 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.79 66.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -5.29 49.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.065 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.82 -82.69 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 13.4 t -178.54 113.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.667 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.6 OUTLIER -84.94 -2.08 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LYS . 4.1 m -89.02 4.45 48.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -38.17 -81.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.72 57.14 0.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -166.37 165.86 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' N ' ' A' ' 60' ' ' CYS . 3.1 m -80.95 -96.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.578 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER 173.35 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 108.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -118.7 -170.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -59.76 -14.02 12.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 t -108.3 21.38 17.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.56 1.162 . . . . 0.0 109.983 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 22.1 t -129.43 -78.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.667 ' SG ' HG22 ' A' ' 54' ' ' VAL . 70.8 m -126.42 -23.01 3.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.623 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.6 mm100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.2 p -166.97 142.76 3.57 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.592 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 15.71 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' CYS . 29.5 p -121.5 17.92 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 71.6 m -160.12 157.67 25.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 167.85 26.14 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.784 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -70.22 57.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.07 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 111.075 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.7 t 51.02 105.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -15.35 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.03 -43.14 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 18.3 m -83.33 -5.41 59.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.619 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.69 78.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.267 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -6.27 47.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.57 -82.38 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.433 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.3 t -179.13 109.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.713 HG23 ' SG ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER -83.85 1.77 4.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -85.79 -10.9 54.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.561 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 118.95 14.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.03 -51.53 0.9 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -102.05 179.55 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.764 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.66 -95.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.764 ' N ' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER 178.3 74.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.516 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.6 p-10 -118.45 -168.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -53.87 -19.63 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.44 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -97.87 7.53 46.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.713 ' SG ' HG23 ' A' ' 54' ' ' VAL . 37.0 t -149.15 98.02 2.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.677 ' SG ' HG22 ' A' ' 54' ' ' VAL . 33.6 m 70.69 -53.56 0.66 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.613 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 26.7 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.9 p -169.98 140.09 1.64 Allowed Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.601 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 15.62 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.456 ' H ' ' C ' ' A' ' 39' ' ' CYS . 23.9 p -119.23 13.05 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.6 m -158.03 155.89 27.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -81.16 50.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -166.04 -90.57 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.165 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 45' ' ' GLY . 48.9 t 43.78 94.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -22.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE3' ' CA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.71 -41.87 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -86.37 -6.75 58.86 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.55 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.69 -43.69 58.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.69 0.33 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.21 2.14 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.412 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.9 t -46.19 110.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.764 HG23 ' SG ' ' A' ' 64' ' ' CYS . 2.3 m -84.57 1.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.2 m -84.07 -10.44 57.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.578 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 120.25 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -50.52 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 55' ' ' CYS . 7.3 ptpp? -103.31 -179.43 3.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.788 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -85.87 -93.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.788 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER 176.16 79.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.274 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.409 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.9 p-10 -123.05 -167.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.433 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -55.71 -17.06 5.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.462 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -99.62 6.04 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.764 ' SG ' HG23 ' A' ' 54' ' ' VAL . 34.8 t -149.04 102.29 3.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.604 1.19 . . . . 0.0 108.306 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 54' ' ' VAL . 39.2 m 69.3 -52.35 0.6 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.532 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 2.7 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 27.7 p -134.86 138.6 30.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.582 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.42 3.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -95.2 -0.26 53.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.0 m -137.61 160.9 63.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 108.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.37 16.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -74.45 56.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.921 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -176.39 -90.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' O ' ' A' ' 45' ' ' GLY . 32.9 t 48.37 100.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 p -61.63 -15.64 41.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -75.66 -45.57 36.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 6.0 m -76.23 -7.63 55.29 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.542 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.61 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -9.88 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.1 42.74 0.35 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.515 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.3 t 62.63 116.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.694 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -97.75 5.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.8 m -96.13 -9.73 29.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.637 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 143.62 48.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 15.81 59.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 55' ' ' CYS . 4.8 ptmt -165.49 -174.77 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 60' ' ' CYS . 44.7 m -92.25 -114.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.601 ' N ' HG22 ' A' ' 59' ' ' THR . 17.1 t 179.29 75.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.529 1.143 . . . . 0.0 108.236 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' CYS . 19.8 p-10 -125.87 -161.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -51.9 -29.08 18.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.4 t -84.67 7.94 18.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.629 1.206 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.611 ' SG ' HG23 ' A' ' 54' ' ' VAL . 1.8 t -125.36 -144.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.258 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.694 ' SG ' HG22 ' A' ' 54' ' ' VAL . 29.9 m -55.77 -16.76 4.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.562 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 48.5 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.3 p -148.3 143.64 17.73 Favored Pre-proline 0 N--CA 1.45 -0.446 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.52 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -115.13 11.08 16.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.5 m -150.23 161.26 31.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.0 Cg_endo -75.05 163.66 34.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -69.12 61.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.96 -87.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 49.2 t 42.6 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -13.92 15.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 110.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -75.64 -41.72 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.2 m -78.74 -6.19 55.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.577 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.39 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -11.43 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.934 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 125.51 42.35 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.571 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.5 t 62.2 112.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.711 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -90.92 2.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.55 -12.69 31.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.587 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.98 -22.04 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -104.14 -97.38 2.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -178.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.819 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -73.56 -86.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.819 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.06 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 108.352 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -128.37 -169.14 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.37 -13.49 8.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.44 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -108.02 20.44 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.539 ' O ' HG21 ' A' ' 54' ' ' VAL . 13.9 t -129.24 -78.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.711 ' SG ' HG22 ' A' ' 54' ' ' VAL . 83.1 m -125.92 -24.35 3.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.611 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 65' ' ' CYS . 22.9 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.5 p -167.94 139.9 2.46 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.61 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 15.69 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.3 p -119.62 16.13 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.671 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.3 m -159.0 156.61 26.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 108.279 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.71 19.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.761 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -72.9 57.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.29 -88.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 44.3 t 46.07 97.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 47' ' ' THR . 44.2 p -51.78 -20.16 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -74.33 -41.65 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 20.6 m -87.9 -8.23 56.08 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.635 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.03 70.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -3.15 52.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.05 -89.56 0.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t -177.78 110.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.707 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -84.35 3.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.89 -11.03 48.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.505 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -48.01 66.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.24 -91.66 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 169.11 11.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.826 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -65.97 -85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.826 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.18 78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.256 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -128.01 -167.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.401 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.26 -12.86 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -109.19 22.49 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 54' ' ' VAL . 13.7 t -131.07 -79.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.243 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.707 ' SG ' HG22 ' A' ' 54' ' ' VAL . 81.0 m -123.78 -23.54 4.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.612 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.404 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 3.1 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.5 p -172.35 140.33 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.562 1.822 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.3 p -119.55 13.93 12.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.674 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 93.8 m -158.0 156.98 29.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.45 22.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -71.05 58.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.55 -88.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 45' ' ' GLY . 41.8 t 48.5 99.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 47' ' ' THR . 38.2 p -51.48 -20.92 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HD3' HG11 ' A' ' 54' ' ' VAL . 1.3 mttp -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.7 m -85.2 -6.72 59.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.592 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.51 71.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.62 -2.91 55.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.76 -88.24 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.433 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.1 t -178.23 108.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.729 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -84.65 3.66 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -84.07 -10.93 57.45 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.551 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -58.95 -43.17 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.62 -82.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -177.07 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.791 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.3 m -48.35 -98.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.791 ' N ' HG22 ' A' ' 59' ' ' THR . 14.6 t 179.99 83.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -126.19 -166.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -56.7 -14.53 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.15 19.38 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 9.6 t -131.05 -83.76 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 108.253 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 54' ' ' VAL . 71.2 m -119.45 -24.31 6.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.593 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' HA ' ' A' ' 62' ' ' THR . 63.1 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.708 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.7 p -172.17 139.75 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.649 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.62 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.6 1.842 . . . . 0.0 110.961 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.7 p -119.45 14.06 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.708 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 97.8 m -158.34 156.6 27.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.31 8.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.81 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 p -78.22 54.03 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -172.46 -89.64 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.2 t 46.46 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.8 -22.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -72.01 -43.53 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.1 m -86.15 -5.92 59.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.565 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.26 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 1.85 48.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.29 125.36 2.33 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.7 t -48.14 108.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 3.1 m -84.48 2.11 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.01 -11.05 58.44 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.12 -84.68 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -110.82 -177.0 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.799 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -47.98 -98.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.799 ' N ' HG22 ' A' ' 59' ' ' THR . 8.6 t -179.63 83.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -124.8 -165.72 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.421 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -59.48 -12.11 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -107.49 21.54 17.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.508 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 9.4 t -131.31 -79.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.497 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 82.0 m -123.7 -25.63 4.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.599 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.0 mm100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 52' ' ' GLY . 44.8 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.513 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -137.83 144.63 45.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.616 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 15.15 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.82 9.42 17.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -147.67 161.18 36.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.0 166.18 29.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -69.28 59.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.4 -87.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' O ' ' A' ' 45' ' ' GLY . 16.8 t 48.6 100.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -21.17 44.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.615 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -72.25 -47.77 47.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.1 m -81.85 -7.19 59.58 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.534 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.82 -32.18 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.16 -0.38 54.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' SG ' ' A' ' 38' ' ' CYS . . . 148.6 -93.21 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.482 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.0 t -171.11 111.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.713 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -84.87 0.37 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.11 -11.3 47.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.56 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -31.79 72.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.34 -89.29 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -179.39 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.794 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -57.88 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.794 ' N ' HG22 ' A' ' 59' ' ' THR . 2.8 t 179.59 79.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.264 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -120.14 -169.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.422 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -58.13 -13.76 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 21.49 17.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.6 ' SG ' HG23 ' A' ' 54' ' ' VAL . 10.1 t -130.2 -75.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 108.334 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.713 ' SG ' HG22 ' A' ' 54' ' ' VAL . 62.3 m -130.85 -23.69 2.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.641 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 3.6 mm100 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.6 p -134.6 139.16 31.7 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.597 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 3.49 5.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -0.73 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.8 m -136.86 160.6 65.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.5 t -77.82 54.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -175.43 -91.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 45' ' ' GLY . 37.1 t 50.6 101.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -18.34 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -76.06 -42.13 48.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.9 m -89.25 -6.55 56.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.649 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.24 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -1.7 57.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.83 -83.47 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 15.4 t -178.45 114.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.649 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -87.58 1.28 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 57' ' ' GLY . 8.2 m -91.31 -5.96 53.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.562 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -22.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 55' ' ' CYS . . . -73.34 -100.56 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -108.63 -173.1 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.714 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.3 m -36.06 -94.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.714 ' N ' HG22 ' A' ' 59' ' ' THR . 4.8 t 140.86 101.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.4 p-10 -168.46 107.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.416 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 12.2 m 61.76 -39.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.0 t -87.62 14.04 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.537 ' SG ' HG23 ' A' ' 54' ' ' VAL . 2.6 t -141.83 -143.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.649 ' SG ' HG22 ' A' ' 54' ' ' VAL . 63.2 m -40.18 -26.8 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.578 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.5 p -172.4 141.62 1.12 Allowed Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.623 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.4 p -119.52 14.27 12.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 94.2 m -158.03 157.67 29.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 172.16 16.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -74.17 56.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.929 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -173.81 -89.04 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 45' ' ' GLY . 43.6 t 44.92 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -22.55 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -41.5 70.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 13.6 m -85.95 -7.89 58.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.569 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.56 -42.98 64.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.36 1.27 45.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.05 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.56 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.3 t -47.1 109.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.674 HG23 ' SG ' ' A' ' 64' ' ' CYS . 1.3 m -84.79 2.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.8 m -85.06 -11.56 55.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.642 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -21.65 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.39 -72.71 1.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 63' ' ' SER . 6.8 ptpp? -118.82 -179.7 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.777 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -51.1 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.777 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.67 75.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.228 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 7.7 p-10 -119.21 -167.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.56 -23.44 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.371 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.428 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 23.2 t -93.74 9.11 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.674 ' SG ' HG23 ' A' ' 54' ' ' VAL . 34.0 t -152.09 102.22 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 54' ' ' VAL . 38.2 m 68.43 -54.01 0.54 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.6 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 17.5 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -133.84 143.95 49.7 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 15.12 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.74 7.9 18.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.3 m -145.41 158.26 51.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.18 7.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.23 49.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.98 44.05 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' CYS . 31.1 t -95.05 91.07 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -47.83 -23.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -70.5 -38.88 74.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -91.75 -6.88 51.11 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.601 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -3.58 56.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.89 -89.38 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 41.9 t -178.27 111.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' SG ' ' A' ' 64' ' ' CYS . 0.9 OUTLIER -85.29 1.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.1 m -85.33 -10.7 56.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.568 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -63.39 -23.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.43 -90.14 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -94.46 -178.56 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.79 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -56.74 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.79 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.75 77.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 108.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.479 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 52.6 p-10 -121.25 -167.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.87 -19.68 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . 5.9 t -97.27 8.21 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.042 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 54' ' ' VAL . 36.8 t -151.56 100.25 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.684 ' SG ' HG22 ' A' ' 54' ' ' VAL . 38.5 m 70.56 -54.46 0.64 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.564 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.479 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 20.8 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 11.8 p -144.47 142.1 18.9 Favored Pre-proline 0 N--CA 1.449 -0.495 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.597 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.455 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.28 9.7 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 108.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 22.0 m -148.32 161.37 34.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.224 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -75.07 166.4 29.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -69.61 59.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.78 -91.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 45' ' ' GLY . 53.3 t 53.34 109.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -64.52 -20.5 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' HG21 ' A' ' 54' ' ' VAL . 1.2 mttm -74.11 -44.12 55.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 23.1 m -83.26 -7.17 59.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.568 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.45 74.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.96 2.94 47.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.35 137.81 3.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.3 t -61.13 112.22 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.897 HG23 ' SG ' ' A' ' 64' ' ' CYS . 1.4 m -87.26 2.47 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -83.37 -10.16 58.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 123.33 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.57 -68.15 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -129.58 -173.09 2.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 0.721 . . . . 0.0 109.215 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.698 HG22 ' N ' ' A' ' 60' ' ' CYS . 2.6 m -48.97 -101.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.698 ' N ' HG22 ' A' ' 59' ' ' THR . 1.8 t 148.04 90.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.365 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.668 ' C ' ' H ' ' A' ' 63' ' ' SER . 21.4 p-10 -159.9 109.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 22.2 m 63.6 -36.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.668 ' H ' ' C ' ' A' ' 61' ' ' ASP . 6.1 t -89.77 12.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.897 ' SG ' HG23 ' A' ' 54' ' ' VAL . 3.5 t -140.8 -141.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 54' ' ' VAL . 58.6 m -40.6 -26.8 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.515 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.234 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.7 t -125.93 -74.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.8 p -138.41 143.31 38.08 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.54 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 14.88 0.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.759 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.78 8.74 18.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 108.332 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.6 m -146.83 160.91 39.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 165.26 31.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.84 60.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.11 -88.1 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.3 t 46.21 98.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -21.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -70.97 -42.39 69.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 29.5 m -88.33 -6.43 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.573 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.99 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -0.91 57.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.23 -96.17 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.052 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.444 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.5 t -174.43 111.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -86.45 -1.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 m -77.19 -10.04 59.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.585 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -27.02 67.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 -88.26 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -107.18 -177.19 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.812 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -47.76 -95.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.812 ' N ' HG22 ' A' ' 59' ' ' THR . 7.9 t -179.56 82.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 108.317 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -125.82 -167.2 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.434 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.09 -14.4 3.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 t -104.88 20.59 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.6 t -131.88 -79.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.528 ' SG ' HG22 ' A' ' 54' ' ' VAL . 76.8 m -124.02 -25.31 4.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.605 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' C ' ' HA ' ' A' ' 62' ' ' THR . 59.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 p -47.93 -55.78 9.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.8 p -132.82 138.96 33.11 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.571 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -2.83 56.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 19.7 m -134.36 160.42 68.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.6 Cg_endo -74.97 164.36 33.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -68.66 61.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.95 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.81 -85.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 45' ' ' GLY . 12.9 t 40.37 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -15.14 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 2.7 mttt -75.29 -44.55 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.9 m -76.12 -7.23 54.29 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.627 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.33 -20.03 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -12.55 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.63 41.43 0.27 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.495 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.6 t 61.73 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.719 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.4 m -93.0 4.5 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.5 m -92.23 -7.82 47.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.547 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 115.79 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.21 -53.25 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 177.88 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.798 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.75 -95.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.798 ' N ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER 178.28 82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 108.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -126.71 -169.86 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.09 -14.36 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.71 21.47 17.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.555 ' O ' HG21 ' A' ' 54' ' ' VAL . 12.8 t -130.26 -79.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.719 ' SG ' HG22 ' A' ' 54' ' ' VAL . 82.7 m -124.41 -23.53 4.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.536 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.461 ' NE2' ' HB2' ' A' ' 65' ' ' CYS . 17.3 mm-40 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.9 t -111.75 -42.05 3.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.251 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -168.55 140.98 2.32 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.584 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.89 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.5 p -120.57 16.31 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 85.3 m -159.39 156.54 25.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.04 23.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -71.38 58.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.03 -88.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.5 t 45.71 97.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -21.04 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -73.06 -42.27 63.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.7 m -85.56 -7.08 59.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.53 -40.24 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.64 1.81 52.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.948 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.78 123.56 2.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.435 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.0 t -47.16 111.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.671 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.5 m -88.32 4.63 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' LYS . 4.0 m -84.36 -9.73 58.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.603 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 117.34 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.81 -56.49 0.48 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -103.16 -179.95 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.781 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -79.71 -97.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.781 ' N ' HG22 ' A' ' 59' ' ' THR . 2.2 t 179.95 81.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -127.33 -167.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.432 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -57.64 -14.29 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.357 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -106.09 21.19 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 110.063 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.429 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 11.1 t -131.83 -78.93 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.499 1.124 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.671 ' SG ' HG22 ' A' ' 54' ' ' VAL . 84.4 m -124.5 -25.31 4.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.542 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' HA ' ' A' ' 62' ' ' THR . 33.8 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.5 t -128.13 -74.74 0.57 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 108.25 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 10.4 p -137.43 142.62 38.01 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.597 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 0.0 110.986 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.03 8.59 18.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.224 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.1 m -147.13 160.86 38.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 108.389 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -74.87 164.92 32.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -69.3 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 179.41 -88.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 47.8 t 45.4 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -18.54 12.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -73.77 -41.64 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 14.9 m -86.31 -5.92 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.602 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.69 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.1 1.7 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.03 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.28 132.34 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -56.98 116.01 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.729 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -91.12 2.29 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -82.38 -10.84 58.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.564 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -31.45 72.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 -82.41 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.16 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -101.33 -177.98 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.794 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -58.31 -89.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.794 ' N ' HG22 ' A' ' 59' ' ' THR . 1.4 t 179.21 79.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -126.26 -168.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.43 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -57.24 -14.83 4.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.423 ' O ' ' CE ' ' A' ' 58' ' ' LYS . 3.6 t -105.35 20.65 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.038 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.455 ' SG ' HG23 ' A' ' 54' ' ' VAL . 11.3 t -131.46 -80.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 54' ' ' VAL . 79.1 m -123.39 -24.29 4.65 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.606 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' C ' ' HA ' ' A' ' 62' ' ' THR . 55.3 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 3.0 p -87.44 -53.44 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 28.2 p -137.9 137.08 20.61 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.597 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 3.39 5.66 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 -3.38 57.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.4 m -133.87 158.42 75.48 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 108.347 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.33 27.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 m -70.3 60.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.04 -88.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 30.2 t 41.61 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -21.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' NZ ' ' HA ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -72.24 -41.38 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 28.3 m -90.5 -8.7 49.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.588 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.58 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -4.04 55.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.7 -88.83 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 18.7 t -178.08 110.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.585 HG22 ' SG ' ' A' ' 65' ' ' CYS . 2.2 m -85.47 1.57 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 m -86.54 -8.45 57.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.535 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -26.41 66.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.48 -73.33 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -121.71 -175.72 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.754 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.5 m -48.37 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.754 ' N ' HG22 ' A' ' 59' ' ' THR . 8.4 t 179.84 82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -125.11 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.427 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -56.92 -14.11 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.93 20.54 18.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 7.2 t -131.86 -79.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.585 ' SG ' HG22 ' A' ' 54' ' ' VAL . 82.4 m -124.65 -25.56 3.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.591 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.427 ' C ' ' HA ' ' A' ' 62' ' ' THR . 66.9 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.2 t -158.41 -73.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 108.402 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.9 p -149.15 143.0 16.51 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.564 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.66 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -114.6 10.54 16.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.539 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -149.44 160.92 33.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.97 163.66 34.95 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 p -69.01 63.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.988 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 176.74 -86.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 45' ' ' GLY . 40.0 t 42.31 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -13.54 16.16 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -76.09 -41.61 49.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.4 m -78.88 -5.65 54.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.565 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.19 63.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.248 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -10.56 59.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.84 42.24 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.58 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.2 t 62.16 112.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.719 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -90.74 2.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.04 -13.83 30.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.592 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -27.84 6.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.52 -97.62 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.413 1.071 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 177.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.822 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -67.87 -89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.822 ' N ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER 178.07 82.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -129.42 -168.14 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -58.58 -13.97 7.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -107.43 21.38 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.529 ' O ' HG21 ' A' ' 54' ' ' VAL . 12.5 t -131.13 -79.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.719 ' SG ' HG22 ' A' ' 54' ' ' VAL . 85.2 m -124.58 -24.23 4.24 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.535 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' C ' ' HA ' ' A' ' 62' ' ' THR . 36.3 mm-40 . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -110.56 -75.66 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 108.295 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.1 p -103.03 135.0 19.48 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.563 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.6 4.59 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.29 -26.52 23.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 108.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 16.0 m -105.63 155.98 37.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.06 164.97 32.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.734 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.5 p -68.92 58.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 46' ' ' CYS . . . -169.47 -90.69 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 45' ' ' GLY . 42.8 t 36.51 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -46.88 -22.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HD2' HG21 ' A' ' 54' ' ' VAL . 1.6 mttm -73.13 -41.27 64.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' CYS . 16.0 m -88.91 -7.15 56.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -4.58 42.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.48 -94.0 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 55' ' ' CYS . 46.6 t 178.82 105.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' HD2' ' A' ' 48' ' ' LYS . 2.2 m -84.6 -0.42 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -77.0 -11.38 59.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.608 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 114.38 21.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.87 -67.85 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -179.43 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 0.813 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.808 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -64.78 -94.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.352 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.808 ' N ' HG22 ' A' ' 59' ' ' THR . 13.3 t 179.33 88.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 108.344 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -130.62 -166.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -13.81 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 t -105.9 19.59 20.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 10.9 t -130.52 -87.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.474 ' SG ' HG22 ' A' ' 54' ' ' VAL . 85.0 m -115.0 -22.28 9.63 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.587 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 2.1 p -105.38 -55.61 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.362 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.7 p -132.69 138.1 31.26 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.577 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 3.48 5.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -91.65 -3.83 55.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.2 m -133.17 158.94 74.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.07 165.02 32.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 p -68.58 63.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.41 -85.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 23.9 t 40.66 93.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.2 p -52.72 -19.18 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 65' ' ' CYS . 1.6 mttm -73.97 -40.63 62.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 19.1 m -89.15 -7.83 54.89 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.616 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.79 66.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -5.29 49.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.065 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.82 -82.69 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 13.4 t -178.54 113.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.667 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.6 OUTLIER -84.94 -2.08 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LYS . 4.1 m -89.02 4.45 48.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -38.17 -81.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.72 57.14 0.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -166.37 165.86 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' N ' ' A' ' 60' ' ' CYS . 3.1 m -80.95 -96.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.578 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER 173.35 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 108.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -118.7 -170.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -59.76 -14.02 12.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.426 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 t -108.3 21.38 17.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.56 1.162 . . . . 0.0 109.983 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 22.1 t -129.43 -78.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.667 ' SG ' HG22 ' A' ' 54' ' ' VAL . 70.8 m -126.42 -23.01 3.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.623 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.6 mm100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t -75.93 -39.24 56.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.125 . . . . 0.0 108.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.2 p -166.97 142.76 3.57 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.592 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 15.71 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' CYS . 29.5 p -121.5 17.92 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.664 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 71.6 m -160.12 157.67 25.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 167.85 26.14 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.784 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -70.22 57.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.07 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 111.075 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.7 t 51.02 105.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -15.35 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.03 -43.14 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 18.3 m -83.33 -5.41 59.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.619 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.69 78.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.267 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -6.27 47.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.57 -82.38 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.433 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 35.3 t -179.13 109.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.713 HG23 ' SG ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER -83.85 1.77 4.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -85.79 -10.9 54.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.561 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 118.95 14.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.03 -51.53 0.9 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -102.05 179.55 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.764 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -84.66 -95.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.764 ' N ' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER 178.3 74.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.6 p-10 -118.45 -168.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -53.87 -19.63 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.44 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -97.87 7.53 46.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.713 ' SG ' HG23 ' A' ' 54' ' ' VAL . 37.0 t -149.15 98.02 2.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 108.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.677 ' SG ' HG22 ' A' ' 54' ' ' VAL . 33.6 m 70.69 -53.56 0.66 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.613 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 26.7 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.7 t -165.4 -45.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.406 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.9 p -169.98 140.09 1.64 Allowed Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.601 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 15.62 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.456 ' H ' ' C ' ' A' ' 39' ' ' CYS . 23.9 p -119.23 13.05 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.6 m -158.03 155.89 27.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -81.16 50.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.475 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -166.04 -90.57 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.165 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 45' ' ' GLY . 48.9 t 43.78 94.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -22.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE3' ' CA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.71 -41.87 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -86.37 -6.75 58.86 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.55 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.69 -43.69 58.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.69 0.33 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.21 2.14 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.412 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.9 t -46.19 110.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.764 HG23 ' SG ' ' A' ' 64' ' ' CYS . 2.3 m -84.57 1.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.2 m -84.07 -10.44 57.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.578 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 120.25 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -50.52 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 55' ' ' CYS . 7.3 ptpp? -103.31 -179.43 3.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.788 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -85.87 -93.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.788 ' N ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER 176.16 79.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.274 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 20.9 p-10 -123.05 -167.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.433 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -55.71 -17.06 5.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.462 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -99.62 6.04 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.764 ' SG ' HG23 ' A' ' 54' ' ' VAL . 34.8 t -149.04 102.29 3.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.604 1.19 . . . . 0.0 108.306 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 54' ' ' VAL . 39.2 m 69.3 -52.35 0.6 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.532 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 2.7 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -134.75 -55.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 27.7 p -134.86 138.6 30.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.582 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.42 3.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -95.2 -0.26 53.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.0 m -137.61 160.9 63.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 108.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.37 16.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -74.45 56.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.921 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -176.39 -90.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' O ' ' A' ' 45' ' ' GLY . 32.9 t 48.37 100.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 p -61.63 -15.64 41.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -75.66 -45.57 36.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 6.0 m -76.23 -7.63 55.29 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.542 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.61 63.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -9.88 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.1 42.74 0.35 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.515 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 4.3 t 62.63 116.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.694 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -97.75 5.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' LYS . 3.8 m -96.13 -9.73 29.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.637 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 143.62 48.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 15.81 59.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 55' ' ' CYS . 4.8 ptmt -165.49 -174.77 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 60' ' ' CYS . 44.7 m -92.25 -114.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.601 ' N ' HG22 ' A' ' 59' ' ' THR . 17.1 t 179.29 75.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.529 1.143 . . . . 0.0 108.236 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' CYS . 19.8 p-10 -125.87 -161.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -51.9 -29.08 18.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.4 t -84.67 7.94 18.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.629 1.206 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.611 ' SG ' HG23 ' A' ' 54' ' ' VAL . 1.8 t -125.36 -144.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.258 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.694 ' SG ' HG22 ' A' ' 54' ' ' VAL . 29.9 m -55.77 -16.76 4.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.562 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 48.5 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 t -148.76 -73.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.257 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.549 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 8.3 p -148.3 143.64 17.73 Favored Pre-proline 0 N--CA 1.45 -0.446 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.52 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -115.13 11.08 16.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.549 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.5 m -150.23 161.26 31.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.0 Cg_endo -75.05 163.66 34.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -69.12 61.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.96 -87.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 45' ' ' GLY . 49.2 t 42.6 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -13.92 15.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 110.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -75.64 -41.72 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 2.2 m -78.74 -6.19 55.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.577 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.39 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -11.43 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.934 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 125.51 42.35 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.571 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.5 t 62.2 112.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.711 HG22 ' SG ' ' A' ' 65' ' ' CYS . 1.2 m -90.92 2.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.55 -12.69 31.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.587 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.98 -22.04 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -104.14 -97.38 2.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -178.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.819 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -73.56 -86.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.819 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.06 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 108.352 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -128.37 -169.14 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.37 -13.49 8.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.44 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -108.02 20.44 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.539 ' O ' HG21 ' A' ' 54' ' ' VAL . 13.9 t -129.24 -78.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.711 ' SG ' HG22 ' A' ' 54' ' ' VAL . 83.1 m -125.92 -24.35 3.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.611 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 65' ' ' CYS . 22.9 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t -165.25 -45.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 108.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.5 p -167.94 139.9 2.46 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.61 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 15.69 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 39' ' ' CYS . 28.3 p -119.62 16.13 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.671 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 88.3 m -159.0 156.61 26.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 108.279 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.71 19.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.761 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -72.9 57.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -177.29 -88.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 45' ' ' GLY . 44.3 t 46.07 97.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 47' ' ' THR . 44.2 p -51.78 -20.16 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER -74.33 -41.65 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 20.6 m -87.9 -8.23 56.08 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.635 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.03 70.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -3.15 52.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.05 -89.56 0.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t -177.78 110.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.707 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -84.35 3.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.89 -11.03 48.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.505 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -48.01 66.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.24 -91.66 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 169.11 11.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.826 HG22 ' N ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -65.97 -85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.826 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.18 78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.256 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -128.01 -167.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.063 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.401 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -59.26 -12.86 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -109.19 22.49 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 54' ' ' VAL . 13.7 t -131.07 -79.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.243 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.707 ' SG ' HG22 ' A' ' 54' ' ' VAL . 81.0 m -123.78 -23.54 4.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.612 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.404 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 3.1 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.4 t -101.06 -38.39 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 108.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 4.5 p -172.35 140.33 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.567 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.562 1.822 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.3 p -119.55 13.93 12.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.572 1.17 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.674 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 93.8 m -158.0 156.98 29.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.45 22.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -71.05 58.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -178.55 -88.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 45' ' ' GLY . 41.8 t 48.5 99.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 47' ' ' THR . 38.2 p -51.48 -20.92 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HD3' HG11 ' A' ' 54' ' ' VAL . 1.3 mttp -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.7 m -85.2 -6.72 59.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.592 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.51 71.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.62 -2.91 55.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.76 -88.24 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.433 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.1 t -178.23 108.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.729 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -84.65 3.66 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -84.07 -10.93 57.45 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.551 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -58.95 -43.17 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.62 -82.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -177.07 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.791 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.3 m -48.35 -98.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.791 ' N ' HG22 ' A' ' 59' ' ' THR . 14.6 t 179.99 83.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -126.19 -166.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.426 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -56.7 -14.53 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -104.15 19.38 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . 9.6 t -131.05 -83.76 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 108.253 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 54' ' ' VAL . 71.2 m -119.45 -24.31 6.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.593 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' HA ' ' A' ' 62' ' ' THR . 63.1 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.9 t -165.32 -45.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 108.33 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 5.7 p -172.17 139.75 1.05 Allowed Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.649 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 15.62 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.6 1.842 . . . . 0.0 110.961 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.7 p -119.45 14.06 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.707 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 97.8 m -158.34 156.6 27.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.31 8.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.81 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 p -78.22 54.03 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.995 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -172.46 -89.64 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' O ' ' O ' ' A' ' 45' ' ' GLY . 42.2 t 46.46 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.8 -22.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -72.01 -43.53 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 109.387 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 22.1 m -86.15 -5.92 59.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.565 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.26 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 1.85 48.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.29 125.36 2.33 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 36.7 t -48.14 108.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG2' ' SG ' ' A' ' 65' ' ' CYS . 3.1 m -84.48 2.11 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.01 -11.05 58.44 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.12 -84.68 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -110.82 -177.0 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.799 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.2 m -47.98 -98.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.799 ' N ' HG22 ' A' ' 59' ' ' THR . 8.6 t -179.63 83.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -124.8 -165.72 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.421 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -59.48 -12.11 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -107.49 21.54 17.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.508 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 9.4 t -131.31 -79.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.497 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 82.0 m -123.7 -25.63 4.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.599 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' HA ' ' A' ' 62' ' ' THR . 4.0 mm100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 52' ' ' GLY . 44.8 t -52.4 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -137.83 144.63 45.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.616 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 15.15 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.82 9.42 17.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.7 m -147.67 161.18 36.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.0 166.18 29.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -69.28 59.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 178.4 -87.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' O ' ' A' ' 45' ' ' GLY . 16.8 t 48.6 100.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -21.17 44.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.615 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -72.25 -47.77 47.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.1 m -81.85 -7.19 59.58 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.534 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.82 -32.18 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.16 -0.38 54.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 38' ' ' CYS . . . 148.6 -93.21 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.482 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.0 t -171.11 111.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.713 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -84.87 0.37 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.11 -11.3 47.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.56 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -31.79 72.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.34 -89.29 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -179.39 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.794 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.1 m -57.88 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.794 ' N ' HG22 ' A' ' 59' ' ' THR . 2.8 t 179.59 79.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 108.264 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -120.14 -169.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.422 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -58.13 -13.76 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 21.49 17.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.6 ' SG ' HG23 ' A' ' 54' ' ' VAL . 10.1 t -130.2 -75.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 108.334 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.713 ' SG ' HG22 ' A' ' 54' ' ' VAL . 62.3 m -130.85 -23.69 2.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.641 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 66' ' ' GLN . 3.6 mm100 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.22 -54.55 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 26.6 p -134.6 139.16 31.7 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.597 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 3.49 5.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -0.73 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 20.8 m -136.86 160.6 65.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.5 t -77.82 54.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -175.43 -91.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 45' ' ' GLY . 37.1 t 50.6 101.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -18.34 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -76.06 -42.13 48.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 35.9 m -89.25 -6.55 56.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.649 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.24 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -1.7 57.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.83 -83.47 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 15.4 t -178.45 114.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.649 HG22 ' SG ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -87.58 1.28 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 57' ' ' GLY . 8.2 m -91.31 -5.96 53.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.562 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -22.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 55' ' ' CYS . . . -73.34 -100.56 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -108.63 -173.1 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.714 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.3 m -36.06 -94.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.714 ' N ' HG22 ' A' ' 59' ' ' THR . 4.8 t 140.86 101.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.4 p-10 -168.46 107.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.416 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 12.2 m 61.76 -39.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.0 t -87.62 14.04 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.537 ' SG ' HG23 ' A' ' 54' ' ' VAL . 2.6 t -141.83 -143.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.649 ' SG ' HG22 ' A' ' 54' ' ' VAL . 63.2 m -40.18 -26.8 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.578 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t -57.25 -37.77 72.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 3.5 p -172.4 141.62 1.12 Allowed Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.623 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 15.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' A' ' 39' ' ' CYS . 26.4 p -119.52 14.27 12.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.298 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 94.2 m -158.03 157.67 29.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 172.16 16.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 p -74.17 56.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.929 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . -173.81 -89.04 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 45' ' ' GLY . 43.6 t 44.92 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -22.55 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -41.5 70.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 13.6 m -85.95 -7.89 58.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.569 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.56 -42.98 64.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.36 1.27 45.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.05 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.1 123.56 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 34.3 t -47.1 109.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.674 HG23 ' SG ' ' A' ' 64' ' ' CYS . 1.3 m -84.79 2.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.8 m -85.06 -11.56 55.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.642 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -21.65 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.39 -72.71 1.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 63' ' ' SER . 6.8 ptpp? -118.82 -179.7 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.777 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -51.1 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.777 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 177.67 75.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.228 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 7.7 p-10 -119.21 -167.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.56 -23.44 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.371 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.428 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 23.2 t -93.74 9.11 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.674 ' SG ' HG23 ' A' ' 54' ' ' VAL . 34.0 t -152.09 102.22 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 54' ' ' VAL . 38.2 m 68.43 -54.01 0.54 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.6 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 17.5 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t -136.09 -74.58 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 108.3 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 7.7 p -133.84 143.95 49.7 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 15.12 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -112.74 7.9 18.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 21.3 m -145.41 158.26 51.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.18 7.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.23 49.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.98 44.05 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' CYS . 31.1 t -95.05 91.07 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -47.83 -23.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -70.5 -38.88 74.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 16.1 m -91.75 -6.88 51.11 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.601 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -3.58 56.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.89 -89.38 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 41.9 t -178.27 111.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' SG ' ' A' ' 64' ' ' CYS . 0.9 OUTLIER -85.29 1.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.1 m -85.33 -10.7 56.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.568 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -63.39 -23.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.43 -90.14 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -94.46 -178.56 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.79 HG22 ' N ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -56.74 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.79 ' N ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 178.75 77.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 108.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.479 ' C ' ' HB2' ' A' ' 66' ' ' GLN . 52.6 p-10 -121.25 -167.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -53.87 -19.68 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . 5.9 t -97.27 8.21 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.042 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 54' ' ' VAL . 36.8 t -151.56 100.25 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.684 ' SG ' HG22 ' A' ' 54' ' ' VAL . 38.5 m 70.56 -54.46 0.64 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.564 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.479 ' HB2' ' C ' ' A' ' 61' ' ' ASP . 20.8 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.5 t -155.15 -73.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 11.8 p -144.47 142.1 18.9 Favored Pre-proline 0 N--CA 1.449 -0.495 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.597 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 15.28 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.455 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -113.28 9.7 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 108.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.544 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 22.0 m -148.32 161.37 34.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.224 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -75.07 166.4 29.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -69.61 59.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 177.78 -91.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 45' ' ' GLY . 53.3 t 53.34 109.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -64.52 -20.5 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' HG21 ' A' ' 54' ' ' VAL . 1.2 mttm -74.11 -44.12 55.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 23.1 m -83.26 -7.17 59.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.568 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.45 74.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.96 2.94 47.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.35 137.81 3.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 42.3 t -61.13 112.22 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.897 HG23 ' SG ' ' A' ' 64' ' ' CYS . 1.4 m -87.26 2.47 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.9 m -83.37 -10.16 58.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.93 123.33 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.57 -68.15 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -129.58 -173.09 2.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 0.721 . . . . 0.0 109.215 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.698 HG22 ' N ' ' A' ' 60' ' ' CYS . 2.6 m -48.97 -101.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.698 ' N ' HG22 ' A' ' 59' ' ' THR . 1.8 t 148.04 90.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.365 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.668 ' C ' ' H ' ' A' ' 63' ' ' SER . 21.4 p-10 -159.9 109.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.403 ' HA ' ' C ' ' A' ' 66' ' ' GLN . 22.2 m 63.6 -36.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.668 ' H ' ' C ' ' A' ' 61' ' ' ASP . 6.1 t -89.77 12.38 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.897 ' SG ' HG23 ' A' ' 54' ' ' VAL . 3.5 t -140.8 -141.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 54' ' ' VAL . 58.6 m -40.6 -26.8 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.515 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.234 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_